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Ligand source activities (1 row/activity)

Ligand Receptor Assay information Chemical information
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GPCRdb ID #Vendors UniProt IUPHAR Species p-value
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Activity
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Activity
Value
Assay Type Assay Description Source Mol
weight
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H don H acc LogP Smiles DOI
11587 545 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1 28049490
138752609 545 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1 28049490
8531 1164 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None 16626895
8532 1165 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None 16626895
8530 1166 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None 16626895
8530 1166 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None 18648536
8533 1167 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None 16626895
773 1811 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None None
3919 3846 0 CXCR4 CXCR4 Human - = Unclassified
UnclassifiedUnclassified
Guide to Pharmacology None None None None None
11565518 89214 75 CXCR4 CXCR4 Human 9.5 pEC50 = 9.5 Binding
Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsDisplacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm070679i
CHEMBL237830 89214 75 CXCR4 CXCR4 Human 9.5 pEC50 = 9.5 Binding
Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsDisplacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm070679i
CHEMBL2372985 203847 0 CXCR4 CXCR4 Human 9.4 pEC50 = 9.4 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372997 203855 0 CXCR4 CXCR4 Human 9.3 pEC50 = 9.3 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372993 203851 0 CXCR4 CXCR4 Human 9.2 pEC50 = 9.2 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2373004 203862 0 CXCR4 CXCR4 Human 8.9 pEC50 = 8.9 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
134143183 144424 0 CXCR4 CXCR4 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3080 81 50 42 -10.0 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3912645 144424 0 CXCR4 CXCR4 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3080 81 50 42 -10.0 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
118965395 155404 0 CXCR4 CXCR4 Human 7.9 pEC50 = 7.9 Binding
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysis
ChEMBL 613 19 6 12 1.7 Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL4064397 155404 0 CXCR4 CXCR4 Human 7.9 pEC50 = 7.9 Binding
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysis
ChEMBL 613 19 6 12 1.7 Cc1cc(NC2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 10.1021/acs.jmedchem.7b01322
CHEMBL2370125 203312 0 CXCR4 CXCR4 Human 5.9 pEC50 = 5.9 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL3924080 205969 0 CXCR4 CXCR4 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3905094 205955 0 CXCR4 CXCR4 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2179708 202964 0 CXCR4 CXCR4 Human 4.8 pEC50 = 4.8 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221068 202964 0 CXCR4 CXCR4 Human 4.8 pEC50 = 4.8 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL3982241 206033 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2370130 203315 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370132 203316 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2179708 202964 0 CXCR4 CXCR4 Human 4.8 pEC50 = 4.8 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221068 202964 0 CXCR4 CXCR4 Human 4.8 pEC50 = 4.8 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL3974242 206018 0 CXCR4 CXCR4 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2370133 203317 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370136 203320 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370140 203323 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370105 203304 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370139 203322 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370134 203318 0 CXCR4 CXCR4 Human 7.8 pEC50 = 7.8 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(00)00535-7
52945183 16849 0 CXCR4 CXCR4 Human 7.7 pEC50 = 7.7 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2648 62 39 31 -3.3 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933416 16849 0 CXCR4 CXCR4 Human 7.7 pEC50 = 7.7 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2648 62 39 31 -3.3 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256529 16849 0 CXCR4 CXCR4 Human 7.7 pEC50 = 7.7 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2648 62 39 31 -3.3 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL192685 202615 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180080 202615 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
45182189 138039 1 CXCR4 CXCR4 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assayAntagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1016/j.ejmech.2016.02.051
CHEMBL3781301 138039 1 CXCR4 CXCR4 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assayAntagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
ChEMBL 399 8 1 4 4.3 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1 10.1016/j.ejmech.2016.02.051
CHEMBL191687 202605 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180081 202605 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL192685 202615 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180080 202615 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
72736900 161419 0 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 705 13 12 8 -1.4 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C/C=C/c2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4163529 161419 0 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 705 13 12 8 -1.4 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C/C=C/c2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL191687 202605 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180081 202605 1 CXCR4 CXCR4 Human 4.7 pEC50 = 4.7 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2372989 203849 0 CXCR4 CXCR4 Human 8.6 pEC50 = 8.6 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2373002 203860 0 CXCR4 CXCR4 Human 8.6 pEC50 = 8.6 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370108 203306 0 CXCR4 CXCR4 Human 8.6 pEC50 = 8.6 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
134139386 145778 0 CXCR4 CXCR4 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3923006 145778 0 CXCR4 CXCR4 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2370126 203313 0 CXCR4 CXCR4 Human 5.6 pEC50 = 5.6 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
72737246 161644 0 CXCR4 CXCR4 Human 4.6 pEC50 = 4.6 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 725 10 10 7 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4167050 161644 0 CXCR4 CXCR4 Human 4.6 pEC50 = 4.6 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 725 10 10 7 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180084 202962 0 CXCR4 CXCR4 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220522 202962 0 CXCR4 CXCR4 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180084 202962 0 CXCR4 CXCR4 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220522 202962 0 CXCR4 CXCR4 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCN(C(=N)N)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2179712 202963 0 CXCR4 CXCR4 Human 5.5 pEC50 = 5.5 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221016 202963 0 CXCR4 CXCR4 Human 5.5 pEC50 = 5.5 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2179712 202963 0 CXCR4 CXCR4 Human 5.5 pEC50 = 5.5 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221016 202963 0 CXCR4 CXCR4 Human 5.5 pEC50 = 5.5 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
72736898 161203 0 CXCR4 CXCR4 Human 4.5 pEC50 = 4.5 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 699 13 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4159875 161203 0 CXCR4 CXCR4 Human 4.5 pEC50 = 4.5 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 699 13 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2372983 203846 0 CXCR4 CXCR4 Human 8.5 pEC50 = 8.5 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
16130395 3496 7 CXCR4 CXCR4 Human 8.5 pEC50 = 8.5 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
56947144 3496 7 CXCR4 CXCR4 Human 8.5 pEC50 = 8.5 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
73345443 3496 7 CXCR4 CXCR4 Human 8.5 pEC50 = 8.5 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
853 3496 7 CXCR4 CXCR4 Human 8.5 pEC50 = 8.5 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
CHEMBL2370138 3496 7 CXCR4 CXCR4 Human 8.5 pEC50 = 8.5 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None None 10.1016/s0960-894x(00)00535-7
72736896 161988 0 CXCR4 CXCR4 Human 4.5 pEC50 = 4.5 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 693 13 12 8 -1.8 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4172495 161988 0 CXCR4 CXCR4 Human 4.5 pEC50 = 4.5 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 693 13 12 8 -1.8 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180079 202957 0 CXCR4 CXCR4 Human 5.5 pEC50 = 5.5 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2220430 202957 0 CXCR4 CXCR4 Human 5.5 pEC50 = 5.5 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2373005 203863 0 CXCR4 CXCR4 Human 7.4 pEC50 = 7.4 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370127 203314 0 CXCR4 CXCR4 Human 6.4 pEC50 = 6.4 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2180079 202957 0 CXCR4 CXCR4 Human 5.4 pEC50 = 5.4 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2220430 202957 0 CXCR4 CXCR4 Human 5.4 pEC50 = 5.4 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/jm300926y
CHEMBL2180078 202956 0 CXCR4 CXCR4 Human 4.4 pEC50 = 4.4 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220429 202956 0 CXCR4 CXCR4 Human 4.4 pEC50 = 4.4 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180078 202956 0 CXCR4 CXCR4 Human 4.4 pEC50 = 4.4 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220429 202956 0 CXCR4 CXCR4 Human 4.4 pEC50 = 4.4 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2373000 203858 0 CXCR4 CXCR4 Human 7.4 pEC50 = 7.4 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372994 203852 0 CXCR4 CXCR4 Human 8.4 pEC50 = 8.4 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2370135 203319 0 CXCR4 CXCR4 Human 8.4 pEC50 = 8.4 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(00)00535-7
52948854 16848 0 CXCR4 CXCR4 Human 8.4 pEC50 = 8.4 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2620 60 39 31 -4.0 N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933415 16848 0 CXCR4 CXCR4 Human 8.4 pEC50 = 8.4 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2620 60 39 31 -4.0 N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256528 16848 0 CXCR4 CXCR4 Human 8.4 pEC50 = 8.4 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2620 60 39 31 -4.0 N=C(N)NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL2373001 203859 0 CXCR4 CXCR4 Human 8.3 pEC50 = 8.3 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
CHEMBL3914095 205962 0 CXCR4 CXCR4 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2373003 203861 0 CXCR4 CXCR4 Human 7.4 pEC50 = 7.4 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL3038228 204461 0 CXCR4 CXCR4 Human 6.4 pEC50 = 6.4 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(=O)O 10.1016/s0960-894x(00)00535-7
CHEMBL3327368 204902 0 CXCR4 CXCR4 Human 4.4 pEC50 = 4.4 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327368 204902 0 CXCR4 CXCR4 Human 4.4 pEC50 = 4.4 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL2370109 203307 0 CXCR4 CXCR4 Human 6.4 pEC50 = 6.4 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
5275843 207190 18 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180076 207190 18 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436283 207190 18 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2370106 203305 0 CXCR4 CXCR4 Human 7.3 pEC50 = 7.3 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
5275843 207190 18 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180076 207190 18 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436283 207190 18 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
52942784 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933417 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256530 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256583 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
134138747 146653 0 CXCR4 CXCR4 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3170 84 51 43 -9.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3930215 146653 0 CXCR4 CXCR4 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3170 84 51 43 -9.6 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
72737615 161866 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 623 10 11 7 -2.4 N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4170463 161866 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 623 10 11 7 -2.4 N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
11505556 161154 0 CXCR4 CXCR4 Human 4.3 pEC50 = 4.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 637 10 11 7 -2.0 C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4159140 161154 0 CXCR4 CXCR4 Human 4.3 pEC50 = 4.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 637 10 11 7 -2.0 C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL3903301 205954 0 CXCR4 CXCR4 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2180077 207189 1 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL436097 207189 1 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
56750906 122221 6 CXCR4 CXCR4 Human 4.3 pEC50 = 4.3 Binding
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 122221 6 CXCR4 CXCR4 Human 4.3 pEC50 = 4.3 Binding
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL2180077 207189 1 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL436097 207189 1 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL2180082 202960 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220520 202960 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180082 202960 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220520 202960 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL3896146 205941 0 CXCR4 CXCR4 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3038227 204460 0 CXCR4 CXCR4 Human 7.3 pEC50 = 7.3 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None CC(N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2180083 202961 0 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220521 202961 0 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
72737063 162081 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 729 12 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL4173917 162081 0 CXCR4 CXCR4 Human 5.3 pEC50 = 5.3 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activationAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
ChEMBL 729 12 12 8 -1.1 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O 10.1016/j.ejmech.2017.08.027
CHEMBL2180083 202961 0 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220521 202961 0 CXCR4 CXCR4 Human 6.3 pEC50 = 6.3 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
118712250 113361 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
CHEMBL3327366 113361 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
CHEMBL3976727 206021 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
118712250 113361 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
CHEMBL3327366 113361 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 468 14 8 4 0.9 N=C(N)NCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc1ccc2ccccc2c1 10.1016/j.bmc.2014.07.004
145972431 162215 0 CXCR4 CXCR4 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 361 5 1 5 2.7 O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 10.1016/j.ejmech.2018.05.013
CHEMBL4176060 162215 0 CXCR4 CXCR4 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 361 5 1 5 2.7 O=C(c1ccc(-n2cccn2)nc1)N1CCC(NCc2ccccc2)CC1 10.1016/j.ejmech.2018.05.013
CHEMBL2372999 203857 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2372995 203853 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL3327373 204903 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327373 204903 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1016/j.bmc.2014.07.004
134150065 150848 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 2985 83 45 42 -8.2 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3963915 150848 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 2985 83 45 42 -8.2 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
134144488 149984 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
CHEMBL3956669 149984 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
134144488 149984 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
CHEMBL3956669 149984 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assayAntagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
ChEMBL 602 10 6 5 2.4 N=C(N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2016.11.036
134134119 142369 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3896065 142369 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
118712261 113363 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327376 113363 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
134132933 144373 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3169 82 52 43 -9.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3912312 144373 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3169 82 52 43 -9.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
118712261 113363 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
CHEMBL3327376 113363 0 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(=N)N)N2C1=O 10.1016/j.bmc.2014.07.004
CHEMBL3978794 206024 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2180085 202958 1 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220487 202958 1 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180085 202958 1 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220487 202958 1 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2179709 202965 0 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221069 202965 0 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2372986 203848 0 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
56955853 137931 1 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membraneDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
ChEMBL 501 12 5 7 4.8 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 10.1016/j.ejmech.2016.02.051
CHEMBL3779982 137931 1 CXCR4 CXCR4 Human 7.2 pEC50 = 7.2 Binding
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membraneDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
ChEMBL 501 12 5 7 4.8 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 10.1016/j.ejmech.2016.02.051
CHEMBL2179709 202965 0 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2221069 202965 0 CXCR4 CXCR4 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
52942784 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
91933417 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256530 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL1256583 16850 0 CXCR4 CXCR4 Human 8.2 pEC50 = 8.2 Binding
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
ChEMBL 2676 64 39 31 -2.5 N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.bmcl.2010.07.106
CHEMBL2372990 203850 0 CXCR4 CXCR4 Human 8.1 pEC50 = 8.1 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O 10.1016/s0960-894x(01)00323-7
56750906 122221 6 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Binding
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 122221 6 CXCR4 CXCR4 Human 4.2 pEC50 = 4.2 Binding
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL2372998 203856 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
CHEMBL2180086 202959 0 CXCR4 CXCR4 Human 5.1 pEC50 = 5.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220488 202959 0 CXCR4 CXCR4 Human 5.1 pEC50 = 5.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180086 202959 0 CXCR4 CXCR4 Human 5.1 pEC50 = 5.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2220488 202959 0 CXCR4 CXCR4 Human 5.1 pEC50 = 5.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
134155140 150332 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3268 83 51 43 -7.5 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3959440 150332 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3268 83 51 43 -7.5 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c32)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3955461 206002 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL2180077 207189 1 CXCR4 CXCR4 Human 6.1 pEC50 = 6.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436097 207189 1 CXCR4 CXCR4 Human 6.1 pEC50 = 6.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL2180077 207189 1 CXCR4 CXCR4 Human 6.1 pEC50 = 6.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
CHEMBL436097 207189 1 CXCR4 CXCR4 Human 6.1 pEC50 = 6.1 Functional
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm300926y
118712260 113362 0 CXCR4 CXCR4 Human 4.1 pEC50 = 4.1 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL3327375 113362 0 CXCR4 CXCR4 Human 4.1 pEC50 = 4.1 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL2370104 203303 0 CXCR4 CXCR4 Human 8.1 pEC50 = 8.1 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2372996 203854 0 CXCR4 CXCR4 Human 8.1 pEC50 = 8.1 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
118712260 113362 0 CXCR4 CXCR4 Human 4.1 pEC50 = 4.1 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
CHEMBL3327375 113362 0 CXCR4 CXCR4 Human 4.1 pEC50 = 4.1 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL 538 11 6 5 1.6 N=C(N)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](CCCNC(=N)N)C(=O)N21 10.1016/j.bmc.2014.07.004
134135404 143132 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3244 83 51 43 -8.1 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3902240 143132 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL 3244 83 51 43 -8.1 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3940962 205983 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3949729 205994 0 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3327367 204901 0 CXCR4 CXCR4 Human 4.1 pEC50 = 4.1 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O 10.1016/j.bmc.2014.07.004
CHEMBL3327367 204901 0 CXCR4 CXCR4 Human 4.1 pEC50 = 4.1 Functional
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
ChEMBL None None None CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O 10.1016/j.bmc.2014.07.004
24066 199605 93 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL 211 2 2 6 -0.5 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 10.1016/s0960-894x(01)00323-7
CHEMBL853 199605 93 CXCR4 CXCR4 Human 7.1 pEC50 = 7.1 Functional
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
ChEMBL 211 2 2 6 -0.5 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 10.1016/s0960-894x(01)00323-7
CHEMBL2370124 203311 0 CXCR4 CXCR4 Human 6.1 pEC50 = 6.1 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL2370137 203321 0 CXCR4 CXCR4 Human 8.0 pEC50 = 8.0 Functional
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
ChEMBL None None None C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O 10.1016/s0960-894x(00)00535-7
CHEMBL3924163 205970 0 CXCR4 CXCR4 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3970509 206015 0 CXCR4 CXCR4 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assayAgonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
145958083 161496 0 CXCR4 CXCR4 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 321 7 2 5 2.5 O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1 10.1016/j.ejmech.2018.05.013
CHEMBL4164659 161496 0 CXCR4 CXCR4 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assayAgonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
ChEMBL 321 7 2 5 2.5 O=C(NCCCNc1ccccc1)c1ccc(-n2cccn2)nc1 10.1016/j.ejmech.2018.05.013
138501621 179490 0 CXCR4 CXCR4 Human 10.7 pIC50 = 10.7 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4751485 179490 0 CXCR4 CXCR4 Human 10.7 pIC50 = 10.7 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assayAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
138501464 182608 0 CXCR4 CXCR4 Human 9.6 pIC50 = 9.6 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 366 4 0 6 2.6 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4799439 182608 0 CXCR4 CXCR4 Human 9.6 pIC50 = 9.6 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 366 4 0 6 2.6 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
11565518 89214 75 CXCR4 CXCR4 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assayBinding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assay
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1016/j.ejmech.2017.08.027
CHEMBL237830 89214 75 CXCR4 CXCR4 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assayBinding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assay
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1016/j.ejmech.2017.08.027
11718722 16291 8 CXCR4 CXCR4 Human 9.5 pIC50 = 9.5 Binding
Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assayInhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16291 8 CXCR4 CXCR4 Human 9.5 pIC50 = 9.5 Binding
Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assayInhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
138501432 182084 0 CXCR4 CXCR4 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 380 4 0 6 3.0 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4792975 182084 0 CXCR4 CXCR4 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 380 4 0 6 3.0 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
11950261 16292 5 CXCR4 CXCR4 Human 9.3 pIC50 = 9.3 Binding
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.3 pIC50 = 9.3 Binding
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.3 pIC50 = 9.3 Binding
Inhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D181A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16292 5 CXCR4 CXCR4 Human 9.3 pIC50 = 9.3 Binding
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.3 pIC50 = 9.3 Binding
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.3 pIC50 = 9.3 Binding
Inhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H203A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL393882 205982 2 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Inhibition of CXCR4 in MDA-MB-231 cellsInhibition of CXCR4 in MDA-MB-231 cells
ChEMBL None None None N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1021/jm070679i
11950261 16292 5 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation countingDisplacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation countingDisplacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation countingDisplacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16292 5 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1016/j.ejmech.2018.02.043
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysisDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1016/j.ejmech.2018.02.043
145975799 162788 0 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4203703 162788 0 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assayAntagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
ChEMBL 352 4 0 6 2.1 CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 10.1016/j.ejmech.2018.02.042
49857283 63258 7 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 472 10 3 9 3.0 Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 10.1021/jm100786g
CHEMBL1802333 63258 7 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 472 10 3 9 3.0 Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 10.1021/jm100786g
11950261 16292 5 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Inhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 H113A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
4410 2946 91 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
65015 2946 91 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
844 2946 91 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
CHEMBL18442 2946 91 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
DB06809 2946 91 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cellsDisplacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1074/jbc.m705302200
11718722 16291 8 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16291 8 CXCR4 CXCR4 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL4163246 206729 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
ChEMBL None None None N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O 10.1016/j.ejmech.2017.08.027
76324529 103115 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
CHEMBL3091683 103115 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
59176553 147666 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 10 1 7 5.6 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12 nan
CHEMBL3938042 147666 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 566 10 1 7 5.6 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12 nan
44470245 149978 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 513 9 1 7 5.5 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3956608 149978 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 513 9 1 7 5.5 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 nan
49857485 63250 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
CHEMBL1802286 63250 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
49857486 63251 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
CHEMBL1802287 63251 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 309 6 2 5 3.2 Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
49857488 63254 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
CHEMBL1802323 63254 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1 nan
49857681 63257 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 328 6 2 6 2.8 Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 nan
CHEMBL1802330 63257 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 328 6 2 6 2.8 Fc1nccc(NCc2ccc(CNc3ccnc(F)n3)cc2)n1 nan
23656764 89008 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1 nan
CHEMBL237629 89008 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1cccc(NCc2ccc(CNc3cccc(OC)c3)cc2)c1 nan
58757240 142376 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 364 6 2 6 3.0 Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 nan
CHEMBL3896101 142376 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 364 6 2 6 3.0 Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1 nan
58757245 144459 1 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 258 5 2 4 2.7 O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1 nan
CHEMBL3912875 144459 1 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 258 5 2 4 2.7 O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1 nan
8241714 145934 1 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 378 8 2 6 4.7 O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 nan
CHEMBL392423 145934 1 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 378 8 2 6 4.7 O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 nan
58757241 150958 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 396 6 2 6 4.1 Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl nan
CHEMBL3964805 150958 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 396 6 2 6 4.1 Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl nan
58757238 153370 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 217 4 1 3 2.6 FCc1ccc(CNc2ncccn2)cc1 nan
CHEMBL3985608 153370 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 217 4 1 3 2.6 FCc1ccc(CNc2ncccn2)cc1 nan
58757235 153431 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 388 8 2 8 2.8 COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F nan
CHEMBL3986129 153431 0 CXCR4 CXCR4 Rat 9.0 pIC50 = 9 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 388 8 2 8 2.8 COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F nan
11950261 16292 5 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16292 5 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
477104 116103 4 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cellsInhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
ChEMBL 570 4 4 8 2.0 c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 10.1021/jm990211i
CHEMBL1202231 116103 4 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cellsInhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
ChEMBL 570 4 4 8 2.0 c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 10.1021/jm990211i
CHEMBL338074 116103 4 CXCR4 CXCR4 Human 9.0 pIC50 = 9 Binding
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cellsInhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
ChEMBL 570 4 4 8 2.0 c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2 10.1021/jm990211i
11718722 16291 8 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
CHEMBL1242210 16291 8 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
ChEMBL 420 5 1 7 2.5 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 10.1128/aac.01293-09
25147749 1964 8 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
2899 1964 8 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
CHEMBL460491 1964 8 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
138501682 182593 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 384 4 0 6 2.7 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4799191 182593 0 CXCR4 CXCR4 Human 9.0 pIC50 = 9.0 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 384 4 0 6 2.7 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
11950261 16292 5 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
53323182 56394 0 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 388 6 2 6 3.5 NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644092 56394 0 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 388 6 2 6 3.5 NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
11950261 16292 5 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2012527 202644 0 CXCR4 CXCR4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1=O 10.1021/ml200084n
11950261 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 V99A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
137648951 156607 0 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL4078698 156607 0 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric methodInhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody clone 12G5 addition measured after 30 mins by flow cytometric method
ChEMBL 1019 18 14 12 -0.2 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.7b01062
CHEMBL2012525 202642 0 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
ChEMBL None None None N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1021/ml200084n
155525671 170276 0 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL4457992 170276 0 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
11950261 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 D262A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
11950261 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL1242211 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
CHEMBL2062277 16292 5 CXCR4 CXCR4 Human 8.8 pIC50 = 8.8 Binding
Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cellsInhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells
ChEMBL 479 17 1 6 4.7 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 10.1128/aac.01727-08
138501436 180872 0 CXCR4 CXCR4 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 391 4 0 7 2.4 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
CHEMBL4777386 180872 0 CXCR4 CXCR4 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysisAntagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
ChEMBL 391 4 0 7 2.4 Cc1nc(CN2CCC[C@H]2c2ncccc2C)c(C#N)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2020.112537
11565518 89214 75 CXCR4 CXCR4 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm100786g
CHEMBL237830 89214 75 CXCR4 CXCR4 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 10.1021/jm100786g
137655938 158160 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 362 6 2 4 3.0 NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
CHEMBL4096305 158160 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secsAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
ChEMBL 362 6 2 4 3.0 NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 10.1021/acsmedchemlett.7b00406
21985038 56380 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 426 7 3 5 4.0 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
CHEMBL1644073 56380 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 426 7 3 5 4.0 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1 10.1016/j.bmcl.2010.11.023
138501629 180831 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.8 CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 10.1016/j.ejmech.2019.111914
CHEMBL4776865 180831 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 380 5 0 6 2.8 CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 10.1016/j.ejmech.2019.111914
59176527 151217 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 nan
CHEMBL3966991 151217 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 413 7 1 5 4.7 Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 nan
49857097 63247 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 430 6 2 8 3.9 Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 nan
CHEMBL1802282 63247 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 430 6 2 8 3.9 Clc1nc(Cl)nc(NCc2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)n1 nan
49857287 63248 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ncccn3)cc2)cc1 nan
CHEMBL1802283 63248 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1ccc(NCc2ccc(CNc3ncccn3)cc2)cc1 nan
49857487 63253 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
CHEMBL1802322 63253 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 325 6 2 5 3.7 Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 nan
23656445 87881 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 6 2 2 6.1 Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 nan
CHEMBL235310 87881 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 6 2 2 6.1 Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 nan
3313778 88878 4 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 316 6 2 2 5.5 Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1 nan
CHEMBL237439 88878 4 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 316 6 2 2 5.5 Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1 nan
328731 88889 6 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 8 2 2 6.0 CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 nan
CHEMBL237440 88889 6 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 344 8 2 2 6.0 CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1 nan
8241537 89213 1 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1 nan
CHEMBL237829 89213 1 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 348 8 2 4 4.9 COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1 nan
58757230 144041 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 352 8 2 8 2.5 COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 nan
CHEMBL3909689 144041 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 352 8 2 8 2.5 COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1 nan
58757229 146984 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1 nan
CHEMBL3932667 146984 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 2 4 3.7 c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1 nan
24804043 150144 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 291 6 1 4 3.7 c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1 nan
CHEMBL3958019 150144 0 CXCR4 CXCR4 Rat 8.0 pIC50 = 8 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 291 6 1 4 3.7 c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1 nan
155546592 172692 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
CHEMBL4531581 172692 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to controlCompetitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
ChEMBL 551 8 3 7 4.2 c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 10.1016/j.bmc.2019.02.013
25147749 1964 8 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
2899 1964 8 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL460491 1964 8 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
25147749 1964 8 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
2899 1964 8 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL460491 1964 8 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1016/j.ejmech.2018.10.060
CHEMBL192183 202609 1 CXCR4 CXCR4 Human 8.0 pIC50 = 8 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H](N=C(N)N)CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL2372983 203846 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
51346852 57909 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
CHEMBL1682996 57909 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
ChEMBL 325 7 2 5 2.7 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2011.01.021
59176443 141937 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
CHEMBL3892436 141937 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@H]1CCCc2cccnc21 nan
4410 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
65015 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
844 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
CHEMBL18442 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
DB06809 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 nan
49857288 63249 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 308 6 2 4 3.8 Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1 nan
CHEMBL1802284 63249 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 308 6 2 4 3.8 Fc1ccccc1NCc1ccc(CNc2ncccn2)cc1 nan
24804044 144234 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 292 6 1 5 3.1 c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1 nan
CHEMBL3911200 144234 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 292 6 1 5 3.1 c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1 nan
89957222 147030 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 332 7 3 3 4.6 O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 nan
CHEMBL3932956 147030 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 332 7 3 3 4.6 O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1 nan
58757244 152617 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 366 6 2 8 1.8 Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1 nan
CHEMBL3979002 152617 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 366 6 2 8 1.8 Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1 nan
58757234 153515 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 229 5 1 4 2.2 COCc1ccc(CNc2ncccn2)cc1 nan
CHEMBL3986703 153515 0 CXCR4 CXCR4 Rat 7.0 pIC50 = 7 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 229 5 1 4 2.2 COCc1ccc(CNc2ncccn2)cc1 nan
70694125 73972 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7 Binding
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 740 12 11 7 1.4 C/C1=C(/C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 10.1021/jm2016914
CHEMBL2029611 73972 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7 Binding
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
ChEMBL 740 12 11 7 1.4 C/C1=C(/C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 10.1021/jm2016914
145961199 161537 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 326 5 1 6 2.8 CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4165124 161537 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 326 5 1 6 2.8 CSc1nnc(-c2ccc(CNC(=O)c3ccccc3)nc2)o1 10.1016/j.ejmech.2017.08.027
155523400 169911 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4452433 169911 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysisAntagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
259647 142588 16 CXCR4 CXCR4 Rat 6.0 pIC50 = 6 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 0 2 4.8 c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1 nan
CHEMBL3897880 142588 16 CXCR4 CXCR4 Rat 6.0 pIC50 = 6 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 290 6 0 2 4.8 c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1 nan
611565 151086 1 CXCR4 CXCR4 Rat 6.0 pIC50 = 6 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 322 6 0 2 6.3 c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1 nan
CHEMBL3965823 151086 1 CXCR4 CXCR4 Rat 6.0 pIC50 = 6 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 322 6 0 2 6.3 c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1 nan
58757247 152064 1 CXCR4 CXCR4 Rat 6.0 pIC50 = 6 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 243 5 2 3 2.8 COc1cccc(NCc2ccc(CO)cc2)c1 nan
CHEMBL3974314 152064 1 CXCR4 CXCR4 Rat 6.0 pIC50 = 6 Binding
Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).Competitive Binding Assay: A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
ChEMBL 243 5 2 3 2.8 COc1cccc(NCc2ccc(CO)cc2)c1 nan
155523400 169911 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4452433 169911 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayDisplacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 10.1016/j.ejmech.2018.10.060
56649212 70015 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 744 12 8 8 0.1 CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949675 70015 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 744 12 8 8 0.1 CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
155545540 172613 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
CHEMBL4529593 172613 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 10.1016/j.ejmech.2018.10.060
155558835 173932 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 318 6 2 3 3.1 Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4561387 173932 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 318 6 2 3 3.1 Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 10.1016/j.ejmech.2018.10.060
5278946 167780 1 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL 793 15 11 10 0.2 N=C(N)NCCCN[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL436083 167780 1 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL 793 15 11 10 0.2 N=C(N)NCCCN[C@H]1CSSC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL408062 206210 1 CXCR4 CXCR4 Human 6.0 pIC50 = 6 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
ChEMBL None None None N=C(N)NCCCN[C@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
56750906 122221 6 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Functional
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assayAntagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 122221 6 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Functional
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assayAntagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
155527692 170424 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 10.1016/j.ejmech.2018.10.060
CHEMBL4460308 170424 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 342 6 1 2 4.7 Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 10.1016/j.ejmech.2018.10.060
16459886 170650 16 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 294 6 1 2 3.7 c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1 10.1016/j.ejmech.2018.10.060
CHEMBL4463684 170650 16 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 294 6 1 2 3.7 c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1 10.1016/j.ejmech.2018.10.060
2236109 171019 22 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 238 3 1 2 2.5 NCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
CHEMBL4469048 171019 22 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisDisplacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
ChEMBL 238 3 1 2 2.5 NCC1CCN(Cc2ccccc2Cl)CC1 10.1016/j.ejmech.2018.10.060
44563689 186977 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 388 5 1 5 4.0 c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 10.1021/jm801065q
CHEMBL516480 186977 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL 388 5 1 5 4.0 c1ccc(CN/C(=N/C2CCCCC2)SCC2CSC3=NCCN32)cc1 10.1021/jm801065q
137660298 158607 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 887 14 10 8 1.9 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 10.1021/acs.jmedchem.8b00336
CHEMBL4101089 158607 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting methodDisplacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
ChEMBL 887 14 10 8 1.9 CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 10.1021/acs.jmedchem.8b00336
44400315 67758 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 663 11 10 7 -1.5 N=C(N)NCCC(=O)N[C@H]1C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL191651 67758 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 663 11 10 7 -1.5 N=C(N)NCCC(=O)N[C@H]1C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44400178 68080 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 677 11 10 7 -1.1 N=C(N)NCCC(=O)N[C@H]1CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL191949 68080 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 677 11 10 7 -1.1 N=C(N)NCCC(=O)N[C@H]1CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44400179 68088 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 769 14 11 8 -0.3 N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
CHEMBL191998 68088 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 769 14 11 8 -0.3 N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O 10.1021/jm050009h
44400314 123720 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 649 11 11 7 -1.7 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL364014 123720 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
ChEMBL 649 11 11 7 -1.7 N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm050009h
CHEMBL440638 168349 0 CXCR4 CXCR4 Human 5.0 pIC50 = 5 Binding
Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4
ChEMBL 1992 47 30 26 -6.5 C[C@H]1/C=C\[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 10.1016/s0960-894x(02)00041-0
138501641 179044 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 436 5 0 7 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4746043 179044 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 436 5 0 7 3.0 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL3924080 205969 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
145965128 163616 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Binding
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 340 7 0 6 2.2 CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc21 10.1016/j.ejmech.2018.02.042
CHEMBL4213783 163616 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Binding
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 340 7 0 6 2.2 CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc21 10.1016/j.ejmech.2018.02.042
59176363 143890 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 6 1 5 4.4 CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3908514 143890 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 6 1 5 4.4 CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 nan
138501453 182351 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 395 6 1 7 2.6 CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4796167 182351 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 395 6 1 7 2.6 CCNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
145974150 163738 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Binding
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 378 6 0 6 2.7 c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 10.1016/j.ejmech.2018.02.042
CHEMBL4215245 163738 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Binding
Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisDisplacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
ChEMBL 378 6 0 6 2.7 c1cnc2c(c1)CCCC2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 10.1016/j.ejmech.2018.02.042
4410 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
65015 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
844 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
CHEMBL18442 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
DB06809 2946 91 CXCR4 CXCR4 Rat 7.0 pIC50 = 7.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm801065q
134134119 142369 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3896065 142369 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3125 83 50 44 -10.8 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL506505 207634 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](c2ccc3ccccc3c2)NC1=O 10.1021/jm801065q
11176403 1963 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
2900 1963 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
CHEMBL452864 1963 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
ChEMBL 378 4 1 5 4.6 C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12 10.1021/jm801065q
145956817 161423 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 378 7 2 4 3.5 Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
CHEMBL4163573 161423 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 378 7 2 4 3.5 Cc1cnc2c(c1)CCC[C@@H]2N(CCCCN)C[C@H]1Cc2ccccc2CN1 10.1021/acsmedchemlett.7b00381
10126019 7466 10 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
CHEMBL1088913 7466 10 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 349 7 2 4 3.6 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1021/jm100073m
21985074 56381 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 427 7 3 5 4.0 NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644074 56381 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 427 7 3 5 4.0 NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
59176432 153462 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 443 9 2 6 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3986397 153462 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 443 9 2 6 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc21 nan
145958234 161357 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysisDisplacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysis
ChEMBL 407 4 2 5 3.9 O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 10.1016/j.ejmech.2017.08.027
CHEMBL4162534 161357 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysisDisplacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysis
ChEMBL 407 4 2 5 3.9 O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 10.1016/j.ejmech.2017.08.027
66558750 74871 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=N 10.1021/ml200047e
CHEMBL2042120 74871 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
ChEMBL 728 12 13 8 -0.6 N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=N 10.1021/ml200047e
25147749 1964 8 CXCR4 CXCR4 Rat 8.0 pIC50 = 8.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
2899 1964 8 CXCR4 CXCR4 Rat 8.0 pIC50 = 8.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
CHEMBL460491 1964 8 CXCR4 CXCR4 Rat 8.0 pIC50 = 8.0 Binding
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
ChEMBL 406 4 1 5 5.4 CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1 10.1021/jm801065q
72535488 148841 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 9 1 7 4.0 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 nan
CHEMBL3947305 148841 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 9 1 7 4.0 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 nan
11678324 163946 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 543 9 2 6 4.8 Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 10.1016/j.ejmech.2018.02.043
CHEMBL4218006 163946 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Inhibition of SDF-1 binding to CXCR4 (unknown origin)Inhibition of SDF-1 binding to CXCR4 (unknown origin)
ChEMBL 543 9 2 6 4.8 Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 10.1016/j.ejmech.2018.02.043
CHEMBL373636 205699 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm0607350
CHEMBL375990 205750 0 CXCR4 CXCR4 Human 8.0 pIC50 = 8.0 Binding
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
ChEMBL None None None C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/jm0607350
155560529 174232 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2536 93 31 37 -7.8 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
CHEMBL4568383 174232 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayBinding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
ChEMBL 2536 93 31 37 -7.8 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 10.1016/j.bmc.2016.08.062
59176435 147588 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3937507 147588 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc21 nan
71716525 87540 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 649 12 8 3 8.2 N=C(NCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
CHEMBL2347628 87540 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 649 12 8 3 8.2 N=C(NCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 10.1016/j.bmcl.2013.01.107
71718364 87543 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 538 15 8 4 5.3 N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
CHEMBL2347631 87543 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
ChEMBL 538 15 8 4 5.3 N=C(NCCCNCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 10.1016/j.bmcl.2013.01.107
71455186 83767 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 10.1021/jm300862u
CHEMBL2170443 83767 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 10.1021/jm300862u
CHEMBL2219950 83767 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysisAntagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
ChEMBL 414 12 2 4 4.4 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 10.1021/jm300862u
155544593 172491 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Binding
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 1165 35 18 16 -5.1 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
CHEMBL4526799 172491 0 CXCR4 CXCR4 Human 6.0 pIC50 = 6.0 Binding
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysisCompetitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
ChEMBL 1165 35 18 16 -5.1 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(N)=O 10.1016/j.ejmech.2019.03.056
53325442 57901 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 352 8 1 4 3.8 CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F 10.1016/j.bmcl.2011.01.021
CHEMBL1682988 57901 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
ChEMBL 352 8 1 4 3.8 CC(c1ccccn1)N(CCCCN)Cc1ncccc1C(F)(F)F 10.1016/j.bmcl.2011.01.021
134139386 145778 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
CHEMBL3923006 145778 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysisDisplacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
ChEMBL 3137 86 45 43 -6.4 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O 10.1021/acs.jmedchem.6b00566
57345320 3597 1 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1016/j.bmcl.2015.04.036
9882 3597 1 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1016/j.bmcl.2015.04.036
CHEMBL3091687 3597 1 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1016/j.bmcl.2015.04.036
59176375 144183 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
CHEMBL3910841 144183 0 CXCR4 CXCR4 Human 7.0 pIC50 = 7.0 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 512 9 2 7 3.8 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21 nan
135314388 156567 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 10.1021/acs.jmedchem.7b01420
CHEMBL4078260 156567 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
ChEMBL 412 6 2 4 4.1 NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 10.1021/acs.jmedchem.7b01420
CHEMBL4798282 182529 0 CXCR4 CXCR4 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 404 5 2 5 5.2 CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
145949156 161887 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 419 7 2 5 2.8 c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4170857 161887 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 419 7 2 5 2.8 c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 10.1021/acsmedchemlett.8b00030
CHEMBL4777007 180844 0 CXCR4 CXCR4 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 390 4 3 5 4.9 CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
CHEMBL4793810 182142 0 CXCR4 CXCR4 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 392 4 2 4 5.3 CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
59176619 160084 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 nan
CHEMBL4115277 160084 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 399 7 2 4 4.7 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)[C@@H]1CCCc2cccnc21 nan
21985008 7978 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1 10.1021/jm100073m
CHEMBL1092324 7978 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
ChEMBL 397 6 2 4 4.5 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1 10.1021/jm100073m
CHEMBL4786878 181622 0 CXCR4 CXCR4 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 402 3 2 4 6.0 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c21 10.1016/j.ejmech.2020.112387
135313965 161967 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 421 7 1 6 3.9 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 10.1021/acsmedchemlett.8b00030
CHEMBL4172234 161967 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
ChEMBL 421 7 1 6 3.9 c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1 10.1021/acsmedchemlett.8b00030
53325426 56392 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 387 6 2 5 4.1 NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
CHEMBL1644088 56392 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
ChEMBL 387 6 2 5 4.1 NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 10.1016/j.bmcl.2010.11.023
138501803 178747 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 384 4 0 6 2.6 Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4742656 178747 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 384 4 0 6 2.6 Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
138491872 181002 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
CHEMBL4778921 181002 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysisAntagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
ChEMBL 366 4 0 6 2.4 Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 10.1016/j.ejmech.2019.111914
59176381 146514 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 526 9 1 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3929073 146514 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 526 9 1 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc21 nan
56647928 70029 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1485 27 18 16 -0.4 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
91930551 70029 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1485 27 18 16 -0.4 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
CHEMBL1949736 70029 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
ChEMBL 1485 27 18 16 -0.4 CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CCC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C 10.1021/jm2009716
72535506 141941 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 540 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 nan
CHEMBL3892446 141941 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 540 9 2 7 4.2 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 nan
72535470 145439 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 nan
CHEMBL3920438 145439 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 539 10 3 7 4.1 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 nan
72535480 146545 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
CHEMBL3929341 146545 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Binding
Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).Inhibition Assay: This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspx?id=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS).
ChEMBL 498 9 2 7 3.8 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 nan
4410 2946 91 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
65015 2946 91 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
844 2946 91 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
CHEMBL18442 2946 91 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
DB06809 2946 91 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 502 4 6 8 0.4 C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 10.1021/jm1012374
483559 180722 29 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1021/jm1012374
CHEMBL477121 180722 29 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at CXCR4Antagonist activity at CXCR4
ChEMBL 410 6 4 6 1.7 c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 10.1021/jm1012374
CHEMBL2372993 203851 0 CXCR4 CXCR4 Human 7.9 pIC50 = 7.9 Functional
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
ChEMBL None None None NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O 10.1016/s0960-894x(01)00323-7
76324529 103115 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
CHEMBL3091683 103115 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
ChEMBL 455 10 2 5 4.4 c1ccc(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)nc1 10.1021/ml400183q
145953887 161743 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 386 6 2 8 3.1 CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 10.1016/j.ejmech.2017.08.027
CHEMBL4168547 161743 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assayAntagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
ChEMBL 386 6 2 8 3.1 CSc1nnc(-c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 10.1016/j.ejmech.2017.08.027
59176391 143857 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc21 nan
CHEMBL3908253 143857 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 490 9 1 6 5.6 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc21 nan
57345320 3597 1 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
9882 3597 1 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
CHEMBL3091687 3597 1 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
ChEMBL 364 7 2 4 3.2 NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 10.1021/ml400183q
46206137 8104 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
CHEMBL1093137 8104 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Binding
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
ChEMBL 488 9 2 5 5.7 c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 10.1021/jm100073m
122192917 123113 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 317 7 3 5 1.1 NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
CHEMBL3627789 123113 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
ChEMBL 317 7 3 5 1.1 NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc21 10.1016/j.bmcl.2015.04.036
24894090 171896 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 572 13 9 5 2.8 CC(C)C[C@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N 10.1016/j.bmcl.2008.05.092
CHEMBL450815 171896 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
ChEMBL 572 13 9 5 2.8 CC(C)C[C@H](NC(=N)N)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCc1c[nH]c3ccccc13)n2CCCNC(=N)N 10.1016/j.bmcl.2008.05.092
56750906 122221 6 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assayInhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
CHEMBL3608763 122221 6 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assayInhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
ChEMBL 332 5 1 3 3.8 c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 10.1021/acsmedchemlett.5b00036
5275843 207190 18 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/acs.jmedchem.5b00216
CHEMBL2180076 207190 18 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/acs.jmedchem.5b00216
CHEMBL436283 207190 18 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
ChEMBL None None None N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O 10.1021/acs.jmedchem.5b00216
CHEMBL4782034 181243 0 CXCR4 CXCR4 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assayAntagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
ChEMBL 392 4 2 4 5.3 CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2c1C(C)CCC2 10.1016/j.ejmech.2020.112387
59176500 143142 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 554 9 1 7 4.8 C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)C[C@@H](C)O1 nan
CHEMBL3902352 143142 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
ChEMBL 554 9 1 7 4.8 C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)[C@H]4CCCc5cccnc54)c32)C[C@@H](C)O1 nan
CHEMBL3916038 205963 0 CXCR4 CXCR4 Human 5.9 pIC50 = 5.9 Binding
Inhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysisInhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysis
ChEMBL None None None CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1021/acs.jmedchem.6b00695
59176411 143904 0 CXCR4 CXCR4 Human 6.9 pIC50 = 6.9 Functional
Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.Calcium Mobilization Assay: Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 °C. i