Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
1067 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
119 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
1262 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
5410 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
6992099 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
CHEMBL96 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
DB02530 | 8490 | 128 | None | -4 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 10.1021/jm7015842 | ||
11701095 | 195486 | 2 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 161 | 1 | 2 | 2 | 0.9 | CP(=O)(O)C1=CCC(N)C1 | 10.1021/jm7015842 | ||
CHEMBL504482 | 195486 | 2 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 161 | 1 | 2 | 2 | 0.9 | CP(=O)(O)C1=CCC(N)C1 | 10.1021/jm7015842 | ||
24895101 | 178818 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 161 | 1 | 2 | 2 | 0.9 | CP(=O)(O)C1=CC[C@H](N)C1 | 10.1021/jm7015842 | ||
CHEMBL447171 | 178818 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 161 | 1 | 2 | 2 | 0.9 | CP(=O)(O)C1=CC[C@H](N)C1 | 10.1021/jm7015842 | ||
24895106 | 177671 | 1 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 161 | 1 | 2 | 2 | 0.9 | CP(=O)(O)C1=CC[C@@H](N)C1 | 10.1021/jm7015842 | ||
CHEMBL445449 | 177671 | 1 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 161 | 1 | 2 | 2 | 0.9 | CP(=O)(O)C1=CC[C@@H](N)C1 | 10.1021/jm7015842 | ||
16686147 | 9076 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 141 | 3 | 2 | 2 | -0.3 | NC[C@H](CP(=O)O)F | None | ||
7705 | 9076 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 141 | 3 | 2 | 2 | -0.3 | NC[C@H](CP(=O)O)F | None | ||
CHEMBL448343 | 9076 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 141 | 3 | 2 | 2 | -0.3 | NC[C@H](CP(=O)O)F | None | ||
DB11920 | 9076 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 141 | 3 | 2 | 2 | -0.3 | NC[C@H](CP(=O)O)F | None | ||
1067 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
119 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
1262 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
5410 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
6992099 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
CHEMBL96 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
DB02530 | 8490 | 128 | None | 4 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | None | ||
1064 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
3428 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
44602 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
6918881 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
CHEMBL301742 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
DB00181 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
DB08891 | 7356 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | 213 | 4 | 2 | 2 | 1.9 | NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | 9069281 | ||
1069 | 7679 | 49 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | Guide to Pharmacology | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 7650685 | ||
1069 | 7679 | 49 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | Guide to Pharmacology | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 9069281 | ||
107699 | 7679 | 49 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | Guide to Pharmacology | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 7650685 | ||
107699 | 7679 | 49 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | Guide to Pharmacology | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 9069281 | ||
CHEMBL40157 | 7679 | 49 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | Guide to Pharmacology | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 7650685 | ||
CHEMBL40157 | 7679 | 49 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | Guide to Pharmacology | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 9069281 | ||
1081 | 6884 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | 122 | 3 | 2 | 2 | 0.1 | NCCC[P+](=O)O | 9069281 | ||
5381 | 6884 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | 122 | 3 | 2 | 2 | 0.1 | NCCC[P+](=O)O | 9069281 | ||
6335948 | 6884 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | 122 | 3 | 2 | 2 | 0.1 | NCCC[P+](=O)O | 9069281 | ||
1075 | 10328 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 173 | 2 | 2 | 3 | 0.2 | OC(=O)C[C@@H]1OCC(NC1)(C)C | 7562513 | ||
5311429 | 10328 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 173 | 2 | 2 | 3 | 0.2 | OC(=O)C[C@@H]1OCC(NC1)(C)C | 7562513 | ||
86294992 | 10328 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 173 | 2 | 2 | 3 | 0.2 | OC(=O)C[C@@H]1OCC(NC1)(C)C | 7562513 | ||
CHEMBL1895916 | 10328 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 173 | 2 | 2 | 3 | 0.2 | OC(=O)C[C@@H]1OCC(NC1)(C)C | 7562513 | ||
1072 | 7684 | 0 | None | - | 1 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 421 | 10 | 3 | 5 | 3.2 | COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O | 9069281 | ||
3429 | 7684 | 0 | None | - | 1 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 421 | 10 | 3 | 5 | 3.2 | COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O | 9069281 | ||
5310936 | 7684 | 0 | None | - | 1 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 421 | 10 | 3 | 5 | 3.2 | COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O | 9069281 | ||
1078 | 10231 | 0 | None | - | 1 | Rat | 3.5 | pIC50 | None | 3.5 | Functional | Guide to Pharmacology | 249 | 4 | 2 | 3 | 1.3 | NCC(c1ccc(cc1)Cl)CS(=O)(=O)O | 9069281 | ||
122150 | 10231 | 0 | None | - | 1 | Rat | 3.5 | pIC50 | None | 3.5 | Functional | Guide to Pharmacology | 249 | 4 | 2 | 3 | 1.3 | NCC(c1ccc(cc1)Cl)CS(=O)(=O)O | 9069281 | ||
CHEMBL312403 | 10231 | 0 | None | - | 1 | Rat | 3.5 | pIC50 | None | 3.5 | Functional | Guide to Pharmacology | 249 | 4 | 2 | 3 | 1.3 | NCC(c1ccc(cc1)Cl)CS(=O)(=O)O | 9069281 | ||
1068 | 6856 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | None | 4.1 | Functional | Guide to Pharmacology | 265 | 4 | 3 | 4 | 0.4 | NCC(c1ccc(cc1)Cl)(CS(=O)(=O)O)O | 9069281 | ||
1564 | 6856 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | None | 4.1 | Functional | Guide to Pharmacology | 265 | 4 | 3 | 4 | 0.4 | NCC(c1ccc(cc1)Cl)(CS(=O)(=O)O)O | 9069281 | ||
CHEMBL1256573 | 6856 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | None | 4.1 | Functional | Guide to Pharmacology | 265 | 4 | 3 | 4 | 0.4 | NCC(c1ccc(cc1)Cl)(CS(=O)(=O)O)O | 9069281 | ||
1067 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
119 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
1262 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
5410 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
6992099 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
CHEMBL96 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
DB02530 | 8490 | 128 | None | 4 | 4 | Rat | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 103 | 3 | 2 | 2 | -0.2 | NCCCC(=O)O | 9069281 | ||
10154248 | 7681 | 0 | None | - | 1 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 173 | 4 | 2 | 2 | 0.8 | NCCCP(=O)(C(F)F)O | 9069281 | ||
1066 | 7681 | 0 | None | - | 1 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 173 | 4 | 2 | 2 | 0.8 | NCCCP(=O)(C(F)F)O | 9069281 | ||
CHEMBL113553 | 7681 | 0 | None | - | 1 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 173 | 4 | 2 | 2 | 0.8 | NCCCP(=O)(C(F)F)O | 9069281 | ||
1074 | 7687 | 0 | None | - | 1 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 659 | 15 | 6 | 7 | 4.5 | [N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O | 9069281 | ||
6324595 | 7687 | 0 | None | - | 1 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 659 | 15 | 6 | 7 | 4.5 | [N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O | 9069281 | ||
CHEMBL1909011 | 7687 | 0 | None | - | 1 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 659 | 15 | 6 | 7 | 4.5 | [N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O | 9069281 | ||
1073 | 7685 | 0 | None | - | 1 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 646 | 16 | 6 | 6 | 3.9 | O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O | 9069281 | ||
5311043 | 7685 | 0 | None | - | 1 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 646 | 16 | 6 | 6 | 3.9 | O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O | 9069281 | ||
CHEMBL1909010 | 7685 | 0 | None | - | 1 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 646 | 16 | 6 | 6 | 3.9 | O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O | 9069281 | ||
1070 | 7682 | 12 | None | 3 | 2 | Rat | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 9069281 | ||
1090 | 7682 | 12 | None | 3 | 2 | Rat | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 9069281 | ||
197584 | 7682 | 12 | None | 3 | 2 | Rat | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 9069281 | ||
CHEMBL1213187 | 7682 | 12 | None | 3 | 2 | Rat | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 9069281 | ||
1071 | 7683 | 0 | None | - | 1 | Rat | 9.2 | pIC50 | None | 9.2 | Functional | Guide to Pharmacology | 383 | 9 | 4 | 4 | 3.2 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@@H](c1cccc(c1)C(=O)O)C | 9069281 | ||
9800175 | 7683 | 0 | None | - | 1 | Rat | 9.2 | pIC50 | None | 9.2 | Functional | Guide to Pharmacology | 383 | 9 | 4 | 4 | 3.2 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@@H](c1cccc(c1)C(=O)O)C | 9069281 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
2284 | 210852 | 114 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL701 | 210852 | 114 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
5446 | 8649 | 57 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 337 | 6 | 2 | 7 | 3.8 | CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-] | 10.1016/j.bmcl.2017.03.084 | |||
6604928 | 8649 | 57 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 337 | 6 | 2 | 7 | 3.8 | CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-] | 10.1016/j.bmcl.2017.03.084 | |||
CHEMBL392394 | 8649 | 57 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 337 | 6 | 2 | 7 | 3.8 | CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-] | 10.1016/j.bmcl.2017.03.084 | |||
9964332 | 16814 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 193 | 6 | 2 | 3 | 0.6 | CC(=O)CCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL115162 | 16814 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 193 | 6 | 2 | 3 | 0.6 | CC(=O)CCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
9813169 | 16555 | 2 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 213 | 5 | 2 | 2 | 1.8 | NCCCP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
CHEMBL113613 | 16555 | 2 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 213 | 5 | 2 | 2 | 1.8 | NCCCP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
28560001 | 117182 | 8 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 227 | 6 | 2 | 2 | 1.8 | NCCCP(=O)(O)CCc1ccccc1 | 10.1021/jm00017a016 | |||
659968 | 117182 | 8 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 227 | 6 | 2 | 2 | 1.8 | NCCCP(=O)(O)CCc1ccccc1 | 10.1021/jm00017a016 | |||
CHEMBL324407 | 117182 | 8 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 227 | 6 | 2 | 2 | 1.8 | NCCCP(=O)(O)CCc1ccccc1 | 10.1021/jm00017a016 | |||
9883500 | 149107 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 318 | 1 | 1 | 2 | 4.6 | CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C | nan | |||
CHEMBL38856 | 149107 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 318 | 1 | 1 | 2 | 4.6 | CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C | nan | |||
10377028 | 115384 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 241 | 8 | 3 | 5 | -0.1 | CCOC(OCC)P(=O)(O)C[C@@H](O)CN | 10.1021/jm00017a016 | |||
CHEMBL320533 | 115384 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 241 | 8 | 3 | 5 | -0.1 | CCOC(OCC)P(=O)(O)C[C@@H](O)CN | 10.1021/jm00017a016 | |||
58227083 | 131388 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 321 | 1 | 1 | 3 | 4.0 | C[C@]12CC[C@@H](O)C[C@@H]1CCC1C2CC[C@@]2(C)C1CC[C@@H]2[N+](=O)[O-] | nan | |||
CHEMBL3640615 | 131388 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 321 | 1 | 1 | 3 | 4.0 | C[C@]12CC[C@@H](O)C[C@@H]1CCC1C2CC[C@@]2(C)C1CC[C@@H]2[N+](=O)[O-] | nan | |||
9920531 | 117098 | 2 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 179 | 5 | 2 | 2 | 1.3 | CC(C)CP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL323887 | 117098 | 2 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 179 | 5 | 2 | 2 | 1.3 | CC(C)CP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
10352529 | 117444 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 191 | 5 | 2 | 3 | 0.2 | NCC(=O)CP(=O)(O)CC1CC1 | 10.1021/jm00017a016 | |||
CHEMBL325932 | 117444 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 191 | 5 | 2 | 3 | 0.2 | NCC(=O)CP(=O)(O)CC1CC1 | 10.1021/jm00017a016 | |||
28559746 | 16411 | 55 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 137 | 3 | 2 | 2 | 0.2 | CP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
5230 | 16411 | 55 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 137 | 3 | 2 | 2 | 0.2 | CP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL112710 | 16411 | 55 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 137 | 3 | 2 | 2 | 0.2 | CP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
9920471 | 16235 | 3 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 165 | 5 | 2 | 2 | 1.0 | CCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL111890 | 16235 | 3 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 165 | 5 | 2 | 2 | 1.0 | CCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
9964768 | 117152 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 241 | 8 | 3 | 5 | -0.1 | CCOC(OCC)P(=O)(O)CC(O)CN | 10.1021/jm00017a016 | |||
CHEMBL324244 | 117152 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 241 | 8 | 3 | 5 | -0.1 | CCOC(OCC)P(=O)(O)CC(O)CN | 10.1021/jm00017a016 | |||
58227084 | 131389 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 335 | 1 | 1 | 3 | 4.4 | C[C@]12CC[C@@](C)(O)C[C@@H]1CCC1C2CC[C@@]2(C)C1CC[C@@H]2[N+](=O)[O-] | nan | |||
CHEMBL3640616 | 131389 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 335 | 1 | 1 | 3 | 4.4 | C[C@]12CC[C@@](C)(O)C[C@@H]1CCC1C2CC[C@@]2(C)C1CC[C@@H]2[N+](=O)[O-] | nan | |||
9815542 | 16344 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 195 | 6 | 3 | 3 | 0.7 | CCCC(O)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL112408 | 16344 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 195 | 6 | 3 | 3 | 0.7 | CCCC(O)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
9878233 | 118077 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 253 | 8 | 2 | 4 | 1.7 | CC(C)OC(OC(C)C)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL326622 | 118077 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 253 | 8 | 2 | 4 | 1.7 | CC(C)OC(OC(C)C)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
10105390 | 16349 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 233 | 6 | 2 | 2 | 2.6 | NCCCP(=O)(O)CCC1CCCCC1 | 10.1021/jm00017a016 | |||
CHEMBL112460 | 16349 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 233 | 6 | 2 | 2 | 2.6 | NCCCP(=O)(O)CCC1CCCCC1 | 10.1021/jm00017a016 | |||
10466591 | 16393 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 235 | 6 | 2 | 3 | 1.6 | NCCCP(=O)(O)CCC1CCCCO1 | 10.1021/jm00017a016 | |||
CHEMBL112639 | 16393 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 235 | 6 | 2 | 3 | 1.6 | NCCCP(=O)(O)CCC1CCCCO1 | 10.1021/jm00017a016 | |||
44341174 | 16542 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 9 | 5 | 5 | -0.5 | NCCCP(=O)(O)CC(O)CNC(=O)c1ccccc1C(N)=O | 10.1021/jm00017a016 | |||
CHEMBL113540 | 16542 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 9 | 5 | 5 | -0.5 | NCCCP(=O)(O)CC(O)CNC(=O)c1ccccc1C(N)=O | 10.1021/jm00017a016 | |||
9898878 | 117442 | 21 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 151 | 4 | 2 | 2 | 0.6 | CCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL325921 | 117442 | 21 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 151 | 4 | 2 | 2 | 0.6 | CCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
130023 | 16548 | 9 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 207 | 8 | 2 | 2 | 2.2 | CCCCCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL113571 | 16548 | 9 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 207 | 8 | 2 | 2 | 2.2 | CCCCCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
9878836 | 16898 | 2 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 281 | 12 | 2 | 4 | 2.5 | CCCCOC(OCCCC)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL115664 | 16898 | 2 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 281 | 12 | 2 | 4 | 2.5 | CCCCOC(OCCCC)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
9923821 | 16754 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.0 | CCOC(OCC)P(=O)(O)CC(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
CHEMBL114812 | 16754 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.0 | CCOC(OCC)P(=O)(O)CC(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
9877786 | 16417 | 1 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 215 | 6 | 2 | 2 | 2.0 | CCCC(F)(F)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL112741 | 16417 | 1 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 215 | 6 | 2 | 2 | 2.0 | CCCC(F)(F)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
1069 | 7679 | 49 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 10.1021/jm00017a016 | |||
107699 | 7679 | 49 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 10.1021/jm00017a016 | |||
CHEMBL40157 | 7679 | 49 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 8 | 2 | 4 | 1.0 | NCCCP(=O)(C(OCC)OCC)O | 10.1021/jm00017a016 | |||
9856380 | 16611 | 2 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 253 | 10 | 2 | 4 | 1.7 | CCCOC(OCCC)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL114027 | 16611 | 2 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 253 | 10 | 2 | 4 | 1.7 | CCCOC(OCCC)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
10219796 | 16226 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 195 | 6 | 3 | 3 | 0.4 | CCCCP(=O)(O)CC(O)CN | 10.1021/jm00017a016 | |||
CHEMBL111817 | 16226 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 195 | 6 | 3 | 3 | 0.4 | CCCCP(=O)(O)CC(O)CN | 10.1021/jm00017a016 | |||
15134818 | 16316 | 2 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 180 | 6 | 3 | 3 | -0.0 | NCCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL112291 | 16316 | 2 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 180 | 6 | 3 | 3 | -0.0 | NCCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
58227082 | 131390 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 322 | 1 | 1 | 2 | 5.1 | CS[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C | nan | |||
CHEMBL3640617 | 131390 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 322 | 1 | 1 | 2 | 5.1 | CS[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C | nan | |||
10466077 | 16347 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 221 | 5 | 2 | 3 | 1.2 | NCCCP(=O)(O)CC1CCCCO1 | 10.1021/jm00017a016 | |||
CHEMBL112451 | 16347 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 221 | 5 | 2 | 3 | 1.2 | NCCCP(=O)(O)CC1CCCCO1 | 10.1021/jm00017a016 | |||
10082524 | 16661 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 0.8 | NC[C@@H](O)CP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
CHEMBL114288 | 16661 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 0.8 | NC[C@@H](O)CP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
9877609 | 117238 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 193 | 4 | 2 | 3 | 0.7 | NCCCP(=O)(O)C1CCCO1 | 10.1021/jm00017a016 | |||
CHEMBL324694 | 117238 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 193 | 4 | 2 | 3 | 0.7 | NCCCP(=O)(O)C1CCCO1 | 10.1021/jm00017a016 | |||
10219657 | 16399 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 177 | 5 | 2 | 2 | 1.0 | NCCCP(=O)(O)CC1CC1 | 10.1021/jm00017a016 | |||
CHEMBL112658 | 16399 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 177 | 5 | 2 | 2 | 1.0 | NCCCP(=O)(O)CC1CC1 | 10.1021/jm00017a016 | |||
9834206 | 103514 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 195 | 6 | 3 | 3 | 0.7 | CCCCP(=O)(O)C(O)CCN | 10.1021/jm00017a016 | |||
CHEMBL264396 | 103514 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 195 | 6 | 3 | 3 | 0.7 | CCCCP(=O)(O)C(O)CCN | 10.1021/jm00017a016 | |||
130021 | 16426 | 37 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 179 | 6 | 2 | 2 | 1.4 | CCCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL112797 | 16426 | 37 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 179 | 6 | 2 | 2 | 1.4 | CCCCP(=O)(O)CCCN | 10.1021/jm00017a016 | |||
10058852 | 16301 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 207 | 4 | 2 | 3 | 1.1 | NCCCP(=O)(O)C1CCCCO1 | 10.1021/jm00017a016 | |||
CHEMBL112213 | 16301 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 207 | 4 | 2 | 3 | 1.1 | NCCCP(=O)(O)C1CCCCO1 | 10.1021/jm00017a016 | |||
130022 | 16333 | 38 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 219 | 5 | 2 | 2 | 2.2 | NCCCP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
CHEMBL112362 | 16333 | 38 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 219 | 5 | 2 | 2 | 2.2 | NCCCP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
10465678 | 176111 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 209 | 6 | 3 | 3 | 0.8 | CCCCP(=O)(O)CC(C)(O)CN | 10.1021/jm00017a016 | |||
CHEMBL441821 | 176111 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 209 | 6 | 3 | 3 | 0.8 | CCCCP(=O)(O)CC(C)(O)CN | 10.1021/jm00017a016 | |||
121956 | 16299 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 123 | 3 | 2 | 2 | -0.2 | NCCC[PH](=O)O | 10.1021/jm00017a016 | |||
CHEMBL112203 | 16299 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 123 | 3 | 2 | 2 | -0.2 | NCCC[PH](=O)O | 10.1021/jm00017a016 | |||
10354046 | 16260 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 235 | 5 | 3 | 3 | 1.2 | NCC(O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
CHEMBL112019 | 16260 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 235 | 5 | 3 | 3 | 1.2 | NCC(O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
10376775 | 16517 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 235 | 5 | 3 | 3 | 1.2 | NC[C@H](O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
CHEMBL113435 | 16517 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 235 | 5 | 3 | 3 | 1.2 | NC[C@H](O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
10398919 | 16776 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 0.8 | NC[C@H](O)CP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
CHEMBL114918 | 16776 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 0.8 | NC[C@H](O)CP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
15134810 | 16307 | 1 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 152 | 4 | 3 | 3 | -0.5 | NCCCP(=O)(O)CN | 10.1021/jm00017a016 | |||
CHEMBL112248 | 16307 | 1 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 152 | 4 | 3 | 3 | -0.5 | NCCCP(=O)(O)CN | 10.1021/jm00017a016 | |||
10243064 | 16335 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 233 | 5 | 2 | 3 | 1.4 | NCC(=O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
CHEMBL112376 | 16335 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 233 | 5 | 2 | 3 | 1.4 | NCC(=O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
10331452 | 116968 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 231 | 5 | 2 | 2 | 1.9 | NCCCP(=O)(O)Cc1ccc(F)cc1 | 10.1021/jm00017a016 | |||
CHEMBL323713 | 116968 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 231 | 5 | 2 | 2 | 1.9 | NCCCP(=O)(O)Cc1ccc(F)cc1 | 10.1021/jm00017a016 | |||
1070 | 7682 | 12 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
1090 | 7682 | 12 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
197584 | 7682 | 12 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL1213187 | 7682 | 12 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
10059083 | 16392 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 214 | 5 | 2 | 3 | 1.2 | NCCCP(=O)(O)Cc1ccccn1 | 10.1021/jm00017a016 | |||
CHEMBL112638 | 16392 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 214 | 5 | 2 | 3 | 1.2 | NCCCP(=O)(O)Cc1ccccn1 | 10.1021/jm00017a016 | |||
10084142 | 16497 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 263 | 4 | 3 | 3 | 1.4 | CP(=O)(O)CC(O)(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
CHEMBL113305 | 16497 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 263 | 4 | 3 | 3 | 1.4 | CP(=O)(O)CC(O)(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
5310935 | 16498 | 4 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 235 | 5 | 3 | 3 | 1.2 | NC[C@@H](O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
CHEMBL113308 | 16498 | 4 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 235 | 5 | 3 | 3 | 1.2 | NC[C@@H](O)CP(=O)(O)CC1CCCCC1 | 10.1021/jm00017a016 | |||
9882973 | 115989 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 305 | 7 | 3 | 3 | 2.6 | CCCCP(=O)(O)CC(O)(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
CHEMBL321688 | 115989 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 305 | 7 | 3 | 3 | 2.6 | CCCCP(=O)(O)CC(O)(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
9942295 | 116510 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 179 | 3 | 2 | 2 | 1.4 | CC(C)(C)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
CHEMBL322965 | 116510 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 179 | 3 | 2 | 2 | 1.4 | CC(C)(C)P(=O)(O)CCCN | 10.1021/jm00017a016 | |||
10105202 | 16845 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 0.8 | NCC(O)CP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
CHEMBL115354 | 16845 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 0.8 | NCC(O)CP(=O)(O)Cc1ccccc1 | 10.1021/jm00017a016 | |||
10059688 | 170190 | 1 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 1.3 | NCCCP(=O)(O)C(O)c1ccccc1 | 10.1021/jm00017a016 | |||
CHEMBL419582 | 170190 | 1 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 229 | 5 | 3 | 3 | 1.3 | NCCCP(=O)(O)C(O)c1ccccc1 | 10.1021/jm00017a016 | |||
58227081 | 131391 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.5 | CN(C)c1ccc([C@H]2C[C@@]3(C)C(CC[C@@H]3[N+](=O)[O-])C3CC[C@H]4C[C@](C)(O)CCC4C32)cc1 | nan | |||
CHEMBL3640618 | 131391 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 5.5 | CN(C)c1ccc([C@H]2C[C@@]3(C)C(CC[C@@H]3[N+](=O)[O-])C3CC[C@H]4C[C@](C)(O)CCC4C32)cc1 | nan | |||
9813635 | 16633 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 2.3 | CP(=O)(O)CC(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
CHEMBL114128 | 16633 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 2.3 | CP(=O)(O)CC(CN)c1ccc(Cl)cc1 | 10.1021/jm00017a016 | |||
1070 | 7682 | 12 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
1090 | 7682 | 12 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
197584 | 7682 | 12 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL1213187 | 7682 | 12 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 8 | 3 | 3 | 4.9 | O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2013.01.025 |