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 |
11715531 | 95472 | 21 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 222 | 5 | 2 | 4 | 1.9 | C=CCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL236013 | 95472 | 21 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 222 | 5 | 2 | 4 | 1.9 | C=CCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
28400380 | 96692 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 194 | 5 | 2 | 3 | 2.0 | CCCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237945 | 96692 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 194 | 5 | 2 | 3 | 2.0 | CCCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11415838 | 143135 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 2.6 | Cc1sc(C2(C)OC(C(=O)O)=CC2=O)cc1Br | 10.1021/jm070022x | ||
CHEMBL373484 | 143135 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 2.6 | Cc1sc(C2(C)OC(C(=O)O)=CC2=O)cc1Br | 10.1021/jm070022x | ||
28400046 | 96585 | 3 | None | 32 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 194 | 4 | 2 | 3 | 1.8 | CC(C)CNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237737 | 96585 | 3 | None | 32 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 194 | 4 | 2 | 3 | 1.8 | CC(C)CNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
10198518 | 80312 | 30 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 231 | 2 | 1 | 4 | 2.2 | O=C(O)c1ccc2c(c1)nnn2C1CCCC1 | 10.1021/jm051099t | ||
CHEMBL201724 | 80312 | 30 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 231 | 2 | 1 | 4 | 2.2 | O=C(O)c1ccc2c(c1)nnn2C1CCCC1 | 10.1021/jm051099t | ||
24955646 | 64808 | 0 | None | -186 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 5 | 1 | 4 | 2.9 | CC1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1 | 10.1021/ml100251u | ||
CHEMBL1672639 | 64808 | 0 | None | -186 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 310 | 5 | 1 | 4 | 2.9 | CC1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1 | 10.1021/ml100251u | ||
1591 | 6919 | 63 | None | -33 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 168 | 4 | 2 | 2 | 1.5 | CCCCc1cc(n[nH]1)C(=O)O | 10.1016/j.bmcl.2007.07.101 | ||
6485181 | 6919 | 63 | None | -33 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 168 | 4 | 2 | 2 | 1.5 | CCCCc1cc(n[nH]1)C(=O)O | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL428730 | 6919 | 63 | None | -33 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 168 | 4 | 2 | 2 | 1.5 | CCCCc1cc(n[nH]1)C(=O)O | 10.1016/j.bmcl.2007.07.101 | ||
28400196 | 97027 | 19 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 7 | 1 | 4 | 2.9 | CCCN(CCC)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238376 | 97027 | 19 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 266 | 7 | 1 | 4 | 2.9 | CCCN(CCC)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
44433532 | 159188 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 182 | 2 | 2 | 4 | 0.3 | CCc1[nH]nc(-c2nnn[nH]2)c1F | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL397055 | 159188 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 182 | 2 | 2 | 4 | 0.3 | CCc1[nH]nc(-c2nnn[nH]2)c1F | 10.1016/j.bmcl.2007.07.101 | ||
11219885 | 90237 | 0 | None | -3 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 286 | 2 | 1 | 3 | 2.5 | CC1(c2cccc(C(F)(F)F)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL220001 | 90237 | 0 | None | -3 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 286 | 2 | 1 | 3 | 2.5 | CC1(c2cccc(C(F)(F)F)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
15604642 | 82029 | 0 | None | -323 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 250 | 3 | 2 | 4 | 0.8 | CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12 | 10.1021/ml200243g | ||
CHEMBL2036948 | 82029 | 0 | None | -323 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 250 | 3 | 2 | 4 | 0.8 | CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12 | 10.1021/ml200243g | ||
43131474 | 158420 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 208 | 4 | 2 | 3 | 2.2 | CC(C)C(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL396382 | 158420 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 208 | 4 | 2 | 3 | 2.2 | CC(C)C(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11961288 | 203489 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 6 | 2 | 4 | 3.4 | O=C(O)c1cc(N(Cc2ccccc2)Cc2ccsc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL564914 | 203489 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 6 | 2 | 4 | 3.4 | O=C(O)c1cc(N(Cc2ccccc2)Cc2ccsc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
15604637 | 82035 | 0 | None | -70 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 262 | 4 | 2 | 4 | 0.9 | O=c1[nH]c(=O)c2c(CCCC3CC3)cc(=O)oc2[nH]1 | 10.1021/ml200243g | ||
CHEMBL2036955 | 82035 | 0 | None | -70 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 262 | 4 | 2 | 4 | 0.9 | O=c1[nH]c(=O)c2c(CCCC3CC3)cc(=O)oc2[nH]1 | 10.1021/ml200243g | ||
11380943 | 90234 | 1 | None | -20 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 296 | 2 | 1 | 3 | 2.2 | CC1(c2cccc(Br)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL219980 | 90234 | 1 | None | -20 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 296 | 2 | 1 | 3 | 2.2 | CC1(c2cccc(Br)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
45269912 | 202689 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | O=C(O)c1cc(N(Cc2ccsc2)Cc2cccs2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL559204 | 202689 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | O=C(O)c1cc(N(Cc2ccsc2)Cc2cccs2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
11687485 | 96824 | 4 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 254 | 6 | 2 | 5 | 1.7 | COCC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238164 | 96824 | 4 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 254 | 6 | 2 | 5 | 1.7 | COCC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
11483496 | 6914 | 0 | None | -14 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm800896z | ||
1589 | 6914 | 0 | None | -14 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm800896z | ||
CHEMBL375493 | 6914 | 0 | None | -14 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm800896z | ||
11483496 | 6914 | 0 | None | -14 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
1589 | 6914 | 0 | None | -14 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
CHEMBL375493 | 6914 | 0 | None | -14 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
28400406 | 96693 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 208 | 6 | 2 | 3 | 2.4 | CCCCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237946 | 96693 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 208 | 6 | 2 | 3 | 2.4 | CCCCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11528819 | 152284 | 23 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 5 | 2 | 4 | 2.5 | CCC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL391473 | 152284 | 23 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 5 | 2 | 4 | 2.5 | CCC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
2829816 | 95522 | 54 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 6 | 2 | 4 | 2.5 | CCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL236219 | 95522 | 54 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 6 | 2 | 4 | 2.5 | CCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
17965902 | 96589 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 242 | 3 | 2 | 3 | 2.0 | O=C(O)c1ccc(NC(=O)c2ccccc2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237739 | 96589 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 242 | 3 | 2 | 3 | 2.0 | O=C(O)c1ccc(NC(=O)c2ccccc2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
11379903 | 91046 | 0 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL221282 | 91046 | 0 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
43271548 | 97031 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 4 | 1 | 3 | 1.6 | CCCN(C)c1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238387 | 97031 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 4 | 1 | 3 | 1.6 | CCCN(C)c1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11379903 | 91046 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL221282 | 91046 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
11379903 | 91046 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm800896z | ||
CHEMBL221282 | 91046 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm800896z | ||
11436345 | 6931 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
1599 | 6931 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
CHEMBL424938 | 6931 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
11218626 | 91667 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1csc(C2(C)OC(C(=O)O)=CC2=O)c1 | 10.1021/jm070022x | ||
CHEMBL223623 | 91667 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1csc(C2(C)OC(C(=O)O)=CC2=O)c1 | 10.1021/jm070022x | ||
13153555 | 100638 | 27 | None | -42 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 182 | 5 | 2 | 2 | 1.8 | CCCCCc1cc(C(=O)O)[nH]n1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL247921 | 100638 | 27 | None | -42 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 182 | 5 | 2 | 2 | 1.8 | CCCCCc1cc(C(=O)O)[nH]n1 | 10.1016/j.bmcl.2007.07.101 | ||
15605571 | 82010 | 2 | None | -23 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 236 | 3 | 2 | 4 | 0.5 | CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12 | 10.1021/ml200243g | ||
CHEMBL2036813 | 82010 | 2 | None | -23 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 236 | 3 | 2 | 4 | 0.5 | CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12 | 10.1021/ml200243g | ||
11470798 | 144745 | 1 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2ccc(F)c(F)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL376419 | 144745 | 1 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2ccc(F)c(F)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
283475 | 96580 | 118 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 196 | 3 | 2 | 4 | 1.3 | CNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237731 | 96580 | 118 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 196 | 3 | 2 | 4 | 1.3 | CNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
11528793 | 95477 | 4 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 236 | 4 | 2 | 4 | 2.3 | O=C(O)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL236028 | 95477 | 4 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 236 | 4 | 2 | 4 | 2.3 | O=C(O)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
10263467 | 147672 | 2 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 235 | 4 | 1 | 5 | 1.3 | COCC(C)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL382096 | 147672 | 2 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 235 | 4 | 1 | 5 | 1.3 | COCC(C)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
2776549 | 80166 | 82 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 177 | 1 | 1 | 4 | 0.7 | Cn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL201513 | 80166 | 82 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 177 | 1 | 1 | 4 | 0.7 | Cn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
3684804 | 97025 | 48 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 210 | 3 | 1 | 4 | 1.4 | CN(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238374 | 97025 | 48 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 210 | 3 | 1 | 4 | 1.4 | CN(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
11322738 | 143544 | 1 | None | -13 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 252 | 2 | 1 | 3 | 2.1 | CC1(c2cccc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL374111 | 143544 | 1 | None | -13 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 252 | 2 | 1 | 3 | 2.1 | CC1(c2cccc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
3729086 | 152375 | 58 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 210 | 4 | 2 | 4 | 1.7 | CCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL391547 | 152375 | 58 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 210 | 4 | 2 | 4 | 1.7 | CCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
10465474 | 147235 | 27 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 203 | 2 | 1 | 4 | 1.5 | O=C(O)c1ccc2c(c1)nnn2C1CC1 | 10.1021/jm051099t | ||
CHEMBL380939 | 147235 | 27 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 203 | 2 | 1 | 4 | 1.5 | O=C(O)c1ccc2c(c1)nnn2C1CC1 | 10.1021/jm051099t | ||
11322761 | 148384 | 1 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2ccc(F)cc2F)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL385103 | 148384 | 1 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2ccc(F)cc2F)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
3824366 | 96283 | 57 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 258 | 4 | 2 | 4 | 3.0 | O=C(O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
3953363 | 96283 | 57 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 258 | 4 | 2 | 4 | 3.0 | O=C(O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237296 | 96283 | 57 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 258 | 4 | 2 | 4 | 3.0 | O=C(O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
45269046 | 203166 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | O=C(O)c1cc(N(Cc2cccs2)Cc2cccs2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL562675 | 203166 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | O=C(O)c1cc(N(Cc2cccs2)Cc2cccs2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
11708383 | 95294 | 36 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 224 | 4 | 2 | 4 | 2.1 | CC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL235144 | 95294 | 36 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 224 | 4 | 2 | 4 | 2.1 | CC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
10421571 | 81000 | 2 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 5 | 1 | 5 | 1.2 | CCOCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL202351 | 81000 | 2 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 235 | 5 | 1 | 5 | 1.2 | CCOCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
10398515 | 142069 | 33 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 1 | 1 | 4 | 1.9 | CC(C)(C)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL372727 | 142069 | 33 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 219 | 1 | 1 | 4 | 1.9 | CC(C)(C)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
28400056 | 159002 | 1 | None | 74 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 208 | 5 | 2 | 3 | 2.4 | CCC(CC)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL396879 | 159002 | 1 | None | 74 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 208 | 5 | 2 | 3 | 2.4 | CCC(CC)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11276453 | 91651 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1ccc(C2(C)OC(C(=O)O)=CC2=O)s1 | 10.1021/jm070022x | ||
CHEMBL223566 | 91651 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1ccc(C2(C)OC(C(=O)O)=CC2=O)s1 | 10.1021/jm070022x | ||
11492560 | 95293 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 252 | 7 | 2 | 4 | 2.9 | CCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL235141 | 95293 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 252 | 7 | 2 | 4 | 2.9 | CCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
10014206 | 79815 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 233 | 5 | 1 | 4 | 2.3 | CCCCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL201048 | 79815 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 233 | 5 | 1 | 4 | 2.3 | CCCCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
11715556 | 6908 | 40 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 224 | 5 | 2 | 4 | 2.1 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O | 10.1016/j.bmcl.2007.09.058 | ||
5801 | 6908 | 40 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 224 | 5 | 2 | 4 | 2.1 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL236011 | 6908 | 40 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 224 | 5 | 2 | 4 | 2.1 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O | 10.1016/j.bmcl.2007.09.058 | ||
44250176 | 7915 | 0 | None | 2951 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1 | 10.1016/j.bmcl.2009.05.108 | ||
5800 | 7915 | 0 | None | 2951 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL564300 | 7915 | 0 | None | 2951 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 319 | 6 | 2 | 5 | 3.4 | OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1 | 10.1016/j.bmcl.2009.05.108 | ||
51346919 | 64617 | 6 | None | -100 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 5 | 1 | 4 | 2.5 | O=c1cc(CCCC2CC2)c2c(=O)[nH]c(C(F)F)nc2o1 | 10.1021/ml100251u | ||
CHEMBL1671877 | 64617 | 6 | None | -100 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 296 | 5 | 1 | 4 | 2.5 | O=c1cc(CCCC2CC2)c2c(=O)[nH]c(C(F)F)nc2o1 | 10.1021/ml100251u | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm070022x | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm070022x | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm070022x | ||
10353934 | 139939 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 233 | 4 | 1 | 4 | 2.5 | CCC(CC)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL370386 | 139939 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 233 | 4 | 1 | 4 | 2.5 | CCC(CC)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
10422270 | 80147 | 2 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 251 | 5 | 1 | 5 | 1.9 | CCSCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL201409 | 80147 | 2 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 251 | 5 | 1 | 5 | 1.9 | CCSCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
4992776 | 97015 | 33 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 222 | 4 | 2 | 4 | 1.9 | O=C(O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238358 | 97015 | 33 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 222 | 4 | 2 | 4 | 1.9 | O=C(O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
11565047 | 153996 | 25 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 4 | 2 | 4 | 2.6 | O=C(O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL392830 | 153996 | 25 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 4 | 2 | 4 | 2.6 | O=C(O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
2942936 | 156643 | 19 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 266 | 5 | 2 | 5 | 1.9 | O=C(O)c1ccc(NCC2CCCO2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL394906 | 156643 | 19 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 266 | 5 | 2 | 5 | 1.9 | O=C(O)c1ccc(NCC2CCCO2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
44434363 | 175750 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | O=C(O)c1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL439028 | 175750 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 2.5 | O=C(O)c1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2007.09.058 | ||
10330955 | 175884 | 3 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 217 | 2 | 1 | 4 | 1.9 | O=C(O)c1ccc2c(c1)nnn2C1CCC1 | 10.1021/jm051099t | ||
CHEMBL440041 | 175884 | 3 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 217 | 2 | 1 | 4 | 1.9 | O=C(O)c1ccc2c(c1)nnn2C1CCC1 | 10.1021/jm051099t | ||
10398583 | 80744 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 221 | 4 | 1 | 5 | 0.8 | COCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL202157 | 80744 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 221 | 4 | 1 | 5 | 0.8 | COCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
28400038 | 95384 | 36 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 178 | 3 | 2 | 3 | 1.4 | O=C(O)c1ccc(NC2CC2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL235615 | 95384 | 36 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 178 | 3 | 2 | 3 | 1.4 | O=C(O)c1ccc(NC2CC2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
44433529 | 95311 | 0 | None | 5 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 176 | 2 | 2 | 4 | 0.5 | c1c(-c2nnn[nH]2)n[nH]c1C1CC1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL235230 | 95311 | 0 | None | 5 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 176 | 2 | 2 | 4 | 0.5 | c1c(-c2nnn[nH]2)n[nH]c1C1CC1 | 10.1016/j.bmcl.2007.07.101 | ||
2771812 | 96586 | 53 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 214 | 3 | 2 | 3 | 2.5 | O=C(O)c1ccc(Nc2ccccc2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237738 | 96586 | 53 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 214 | 3 | 2 | 3 | 2.5 | O=C(O)c1ccc(Nc2ccccc2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
43187344 | 97029 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 210 | 5 | 2 | 4 | 1.2 | COCC(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238385 | 97029 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 210 | 5 | 2 | 4 | 1.2 | COCC(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11817645 | 91681 | 1 | None | -12 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2cc(F)cc(F)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL223700 | 91681 | 1 | None | -12 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2cc(F)cc(F)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
10013684 | 80804 | 2 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 219 | 3 | 1 | 4 | 2.1 | CCC(C)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL202206 | 80804 | 2 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 219 | 3 | 1 | 4 | 2.1 | CCC(C)n1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
4712703 | 148000 | 44 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.3 | CC(C)n1cnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL382863 | 148000 | 44 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.3 | CC(C)n1cnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
44433529 | 95311 | 0 | None | 5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 176 | 2 | 2 | 4 | 0.5 | c1c(-c2nnn[nH]2)n[nH]c1C1CC1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL235230 | 95311 | 0 | None | 5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 176 | 2 | 2 | 4 | 0.5 | c1c(-c2nnn[nH]2)n[nH]c1C1CC1 | 10.1016/j.bmcl.2007.07.101 | ||
11322762 | 144380 | 1 | None | -5 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2c(F)cccc2F)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL375625 | 144380 | 1 | None | -5 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 254 | 2 | 1 | 3 | 1.7 | CC1(c2c(F)cccc2F)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
43085192 | 96206 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 252 | 5 | 2 | 4 | 2.7 | CC(C)C(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237077 | 96206 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 252 | 5 | 2 | 4 | 2.7 | CC(C)C(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
11483496 | 6914 | 0 | None | -14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
1589 | 6914 | 0 | None | -14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
CHEMBL375493 | 6914 | 0 | None | -14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
11311474 | 172561 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2ccc(Cl)s2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL424750 | 172561 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2ccc(Cl)s2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
43187332 | 158999 | 2 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 194 | 4 | 2 | 3 | 2.0 | CCC(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL396878 | 158999 | 2 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 194 | 4 | 2 | 3 | 2.0 | CCC(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
1447952 | 96584 | 7 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 206 | 3 | 2 | 3 | 2.1 | O=C(O)c1ccc(NC2CCCC2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237735 | 96584 | 7 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 206 | 3 | 2 | 3 | 2.1 | O=C(O)c1ccc(NC2CCCC2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
11744994 | 96581 | 26 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 166 | 3 | 2 | 3 | 1.2 | CCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237732 | 96581 | 26 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 166 | 3 | 2 | 3 | 1.2 | CCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
1597 | 8746 | 80 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 205 | 2 | 1 | 4 | 1.7 | OC(=O)c1ccc2c(c1)nnn2C(C)C | 10.1021/jm051099t | ||
2736690 | 8746 | 80 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 205 | 2 | 1 | 4 | 1.7 | OC(=O)c1ccc2c(c1)nnn2C(C)C | 10.1021/jm051099t | ||
CHEMBL381638 | 8746 | 80 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 205 | 2 | 1 | 4 | 1.7 | OC(=O)c1ccc2c(c1)nnn2C(C)C | 10.1021/jm051099t | ||
45268162 | 203018 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.7 | O=C(O)c1cc(N(CC2CC2)CC2CC2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL561720 | 203018 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.7 | O=C(O)c1cc(N(CC2CC2)CC2CC2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
28399894 | 156066 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 178 | 4 | 2 | 3 | 1.4 | C=CCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL394468 | 156066 | 2 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 178 | 4 | 2 | 3 | 1.4 | C=CCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2009.05.108 | ||
11324121 | 91441 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | CC1(c2cc(Br)cs2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL222472 | 91441 | 0 | None | -5 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 2 | 1 | 4 | 2.3 | CC1(c2cc(Br)cs2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
776421 | 96703 | 108 | None | -30 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 154 | 2 | 2 | 2 | 1.2 | CC(C)c1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL238002 | 96703 | 108 | None | -30 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 154 | 2 | 2 | 2 | 1.2 | CC(C)c1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2007.07.101 | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm800896z | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm800896z | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm800896z | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm070022x | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm070022x | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm070022x | ||
11183678 | 91547 | 1 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 224 | 2 | 1 | 4 | 1.5 | CC1(c2ccsc2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL223140 | 91547 | 1 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 224 | 2 | 1 | 4 | 1.5 | CC1(c2ccsc2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1016/j.bmcl.2009.05.108 | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1016/j.bmcl.2009.05.108 | ||
11992587 | 202277 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 183 | 4 | 3 | 3 | 1.3 | CCC(C)Nc1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL553415 | 202277 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 183 | 4 | 3 | 3 | 1.3 | CCC(C)Nc1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2009.05.108 | ||
11148966 | 7906 | 4 | None | 4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 232 | 3 | 1 | 3 | 1.9 | CCC1(OC(=CC1=O)C(=O)O)c1ccccc1 | 10.1021/jm070022x | ||
1598 | 7906 | 4 | None | 4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 232 | 3 | 1 | 3 | 1.9 | CCC1(OC(=CC1=O)C(=O)O)c1ccccc1 | 10.1021/jm070022x | ||
CHEMBL436301 | 7906 | 4 | None | 4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 232 | 3 | 1 | 3 | 1.9 | CCC1(OC(=CC1=O)C(=O)O)c1ccccc1 | 10.1021/jm070022x | ||
11380943 | 90234 | 1 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 296 | 2 | 1 | 3 | 2.2 | CC1(c2cccc(Br)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL219980 | 90234 | 1 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 296 | 2 | 1 | 3 | 2.2 | CC1(c2cccc(Br)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
11436345 | 6931 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
1599 | 6931 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
CHEMBL424938 | 6931 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 10.1021/jm070022x | ||
9971057 | 81078 | 4 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 283 | 4 | 1 | 5 | 2.2 | COc1cccc(Cn2nnc3cc(C(=O)O)ccc32)c1 | 10.1021/jm051099t | ||
CHEMBL202427 | 81078 | 4 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 283 | 4 | 1 | 5 | 2.2 | COc1cccc(Cn2nnc3cc(C(=O)O)ccc32)c1 | 10.1021/jm051099t | ||
28399946 | 96582 | 8 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 180 | 4 | 2 | 3 | 1.6 | CCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237733 | 96582 | 8 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 180 | 4 | 2 | 3 | 1.6 | CCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11739420 | 91532 | 0 | None | -12 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 344 | 2 | 1 | 3 | 2.1 | CC1(c2cccc(I)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL223013 | 91532 | 0 | None | -12 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 344 | 2 | 1 | 3 | 2.1 | CC1(c2cccc(I)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
11413114 | 144397 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 2 | 1 | 3 | 1.4 | CC1(C2=CCCC2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL375754 | 144397 | 0 | None | -2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 2 | 1 | 3 | 1.4 | CC1(C2=CCCC2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
43271417 | 97026 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 238 | 5 | 1 | 4 | 2.1 | CCCN(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238375 | 97026 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 238 | 5 | 1 | 4 | 2.1 | CCCN(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
11992688 | 202518 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 335 | 8 | 2 | 3 | 3.4 | O=C(O)c1cc(N(CCc2ccccc2)CCc2ccccc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL557298 | 202518 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 335 | 8 | 2 | 3 | 3.4 | O=C(O)c1cc(N(CCc2ccccc2)CCc2ccccc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
11514348 | 159868 | 6 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 252 | 6 | 2 | 4 | 2.9 | CCC(CC)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL397616 | 159868 | 6 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 252 | 6 | 2 | 4 | 2.9 | CCC(CC)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
4738197 | 158084 | 39 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 240 | 6 | 2 | 5 | 1.4 | COCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL396073 | 158084 | 39 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 240 | 6 | 2 | 5 | 1.4 | COCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
653819 | 148039 | 50 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 245 | 2 | 1 | 4 | 2.6 | O=C(O)c1ccc2c(c1)nnn2C1CCCCC1 | 10.1021/jm051099t | ||
CHEMBL383099 | 148039 | 50 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 245 | 2 | 1 | 4 | 2.6 | O=C(O)c1ccc2c(c1)nnn2C1CCCCC1 | 10.1021/jm051099t | ||
59343664 | 82031 | 0 | None | -29 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 2 | 4 | 0.8 | O=c1[nH]c(=O)c2c(CCCC(F)F)cc(=O)oc2[nH]1 | 10.1021/ml200243g | ||
CHEMBL2036951 | 82031 | 0 | None | -29 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 2 | 4 | 0.8 | O=c1[nH]c(=O)c2c(CCCC(F)F)cc(=O)oc2[nH]1 | 10.1021/ml200243g | ||
43187366 | 97030 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 222 | 4 | 2 | 4 | 1.4 | O=C(O)c1ccc(NCC2CCCO2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL238386 | 97030 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 222 | 4 | 2 | 4 | 1.4 | O=C(O)c1ccc(NCC2CCCO2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
28400003 | 156068 | 37 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 180 | 3 | 2 | 3 | 1.6 | CC(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL394469 | 156068 | 37 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 180 | 3 | 2 | 3 | 1.6 | CC(C)Nc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
11184165 | 90229 | 0 | None | -5 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 246 | 3 | 1 | 3 | 2.0 | CCc1cccc(C2(C)OC(C(=O)O)=CC2=O)c1 | 10.1021/jm070022x | ||
CHEMBL219950 | 90229 | 0 | None | -5 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 246 | 3 | 1 | 3 | 2.0 | CCc1cccc(C2(C)OC(C(=O)O)=CC2=O)c1 | 10.1021/jm070022x | ||
2833647 | 156646 | 24 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 238 | 5 | 1 | 4 | 2.1 | CCN(CC)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL394907 | 156646 | 24 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 238 | 5 | 1 | 4 | 2.1 | CCN(CC)c1ccc(C(=O)O)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.09.058 | ||
16775596 | 96386 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 222 | 6 | 1 | 3 | 2.4 | CCCN(CCC)c1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237525 | 96386 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 222 | 6 | 1 | 3 | 2.4 | CCCN(CCC)c1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
59304608 | 82034 | 0 | None | -67 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 262 | 3 | 2 | 4 | 0.9 | O=c1[nH]c(=O)c2c(CCC3CCC3)cc(=O)oc2[nH]1 | 10.1021/ml200243g | ||
CHEMBL2036954 | 82034 | 0 | None | -67 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 262 | 3 | 2 | 4 | 0.9 | O=c1[nH]c(=O)c2c(CCC3CCC3)cc(=O)oc2[nH]1 | 10.1021/ml200243g | ||
11992588 | 202228 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 197 | 5 | 3 | 3 | 1.7 | CCCC(C)Nc1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL552399 | 202228 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 197 | 5 | 3 | 3 | 1.7 | CCCC(C)Nc1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2009.05.108 | ||
11379903 | 91046 | 0 | None | -6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL221282 | 91046 | 0 | None | -6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 258 | 2 | 1 | 4 | 2.2 | CC1(c2csc(Cl)c2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
10331019 | 81188 | 31 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 219 | 4 | 1 | 4 | 1.9 | CCCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL202586 | 81188 | 31 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 219 | 4 | 1 | 4 | 1.9 | CCCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
28399894 | 156066 | 2 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 178 | 4 | 2 | 3 | 1.4 | C=CCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL394468 | 156066 | 2 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 178 | 4 | 2 | 3 | 1.4 | C=CCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
44434380 | 96385 | 21 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 192 | 3 | 2 | 3 | 1.7 | O=C(O)c1ccc(NC2CCC2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL237524 | 96385 | 21 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 192 | 3 | 2 | 3 | 1.7 | O=C(O)c1ccc(NC2CCC2)nc1 | 10.1016/j.bmcl.2007.09.058 | ||
44433528 | 154300 | 0 | None | 10 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 178 | 3 | 2 | 4 | 0.5 | CCCc1cc(-c2nnn[nH]2)n[nH]1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL393064 | 154300 | 0 | None | 10 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 178 | 3 | 2 | 4 | 0.5 | CCCc1cc(-c2nnn[nH]2)n[nH]1 | 10.1016/j.bmcl.2007.07.101 | ||
22271415 | 95299 | 57 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 152 | 2 | 2 | 3 | 0.8 | CNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL235168 | 95299 | 57 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 152 | 2 | 2 | 3 | 0.8 | CNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
10058774 | 81192 | 28 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 205 | 3 | 1 | 4 | 1.5 | CCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL202614 | 81192 | 28 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 205 | 3 | 1 | 4 | 1.5 | CCCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
44433530 | 154302 | 0 | None | 2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 192 | 4 | 2 | 4 | 0.9 | CCCCc1cc(-c2nnn[nH]2)n[nH]1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL393065 | 154302 | 0 | None | 2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 192 | 4 | 2 | 4 | 0.9 | CCCCc1cc(-c2nnn[nH]2)n[nH]1 | 10.1016/j.bmcl.2007.07.101 | ||
117629482 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
1588 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
1594 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
2835 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
938 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
CHEMBL573 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
DB00627 | 9599 | 140 | None | -26 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 10.1016/j.bmcl.2007.07.101 | ||
11992592 | 202810 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 6 | 2 | 3 | 1.7 | CCCN(CCC)c1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL560254 | 202810 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 6 | 2 | 3 | 1.7 | CCCN(CCC)c1cc(C(=O)O)n[nH]1 | 10.1016/j.bmcl.2009.05.108 | ||
11992591 | 203049 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 307 | 6 | 2 | 3 | 3.3 | O=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL561920 | 203049 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 307 | 6 | 2 | 3 | 3.3 | O=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
11992790 | 201971 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 343 | 6 | 2 | 3 | 3.6 | O=C(O)c1cc(N(Cc2ccccc2F)Cc2ccccc2F)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL550563 | 201971 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 343 | 6 | 2 | 3 | 3.6 | O=C(O)c1cc(N(Cc2ccccc2F)Cc2ccccc2F)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
2103992 | 175905 | 46 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 191 | 2 | 1 | 4 | 1.1 | CCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
CHEMBL440217 | 175905 | 46 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 191 | 2 | 1 | 4 | 1.1 | CCn1nnc2cc(C(=O)O)ccc21 | 10.1021/jm051099t | ||
45269904 | 203511 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 287 | 6 | 2 | 5 | 2.5 | O=C(O)c1cc(N(Cc2ccoc2)Cc2ccoc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
CHEMBL565055 | 203511 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 287 | 6 | 2 | 5 | 2.5 | O=C(O)c1cc(N(Cc2ccoc2)Cc2ccoc2)[nH]n1 | 10.1016/j.bmcl.2009.05.108 | ||
11608532 | 80069 | 31 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 253 | 3 | 1 | 4 | 2.2 | O=C(O)c1ccc2c(c1)nnn2Cc1ccccc1 | 10.1021/jm051099t | ||
CHEMBL201278 | 80069 | 31 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 253 | 3 | 1 | 4 | 2.2 | O=C(O)c1ccc2c(c1)nnn2Cc1ccccc1 | 10.1021/jm051099t | ||
28400019 | 95341 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 196 | 5 | 2 | 4 | 0.8 | COCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
CHEMBL235394 | 95341 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 196 | 5 | 2 | 4 | 0.8 | COCCNc1ccc(C(=O)O)cn1 | 10.1016/j.bmcl.2007.09.058 | ||
56950369 | 10332 | 13 | None | -47 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 276 | 4 | 2 | 4 | 1.3 | O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O | 10.1021/ml200243g | ||
8469 | 10332 | 13 | None | -47 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 276 | 4 | 2 | 4 | 1.3 | O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O | 10.1021/ml200243g | ||
CHEMBL2036958 | 10332 | 13 | None | -47 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 276 | 4 | 2 | 4 | 1.3 | O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O | 10.1021/ml200243g | ||
DB12433 | 10332 | 13 | None | -47 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 276 | 4 | 2 | 4 | 1.3 | O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O | 10.1021/ml200243g | ||
11264843 | 144398 | 1 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 236 | 2 | 1 | 3 | 1.6 | CC1(c2ccc(F)cc2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
CHEMBL375762 | 144398 | 1 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 236 | 2 | 1 | 3 | 1.6 | CC1(c2ccc(F)cc2)OC(C(=O)O)=CC1=O | 10.1021/jm070022x | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm800896z | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm800896z | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1021/jm800896z | ||
117629482 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
1588 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
1594 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
2835 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
938 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
CHEMBL573 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
DB00627 | 9599 | 140 | None | -26 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | None | ||
5798 | 8284 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 204 | 3 | 3 | 2 | 1.1 | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N | 19237584 | ||
6923517 | 8284 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 204 | 3 | 3 | 2 | 1.1 | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N | 19237584 | ||
9060 | 8284 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 204 | 3 | 3 | 2 | 1.1 | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N | 19237584 | ||
CHEMBL292303 | 8284 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 204 | 3 | 3 | 2 | 1.1 | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N | 19237584 | ||
DB03225 | 8284 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 204 | 3 | 3 | 2 | 1.1 | OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N | 19237584 | ||
5797 | 8257 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 165 | 3 | 2 | 2 | 0.6 | N[C@@H](C(=O)O)Cc1ccccc1 | 19237584 | ||
6919011 | 8257 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 165 | 3 | 2 | 2 | 0.6 | N[C@@H](C(=O)O)Cc1ccccc1 | 19237584 | ||
71567 | 8257 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 165 | 3 | 2 | 2 | 0.6 | N[C@@H](C(=O)O)Cc1ccccc1 | 19237584 | ||
CHEMBL379630 | 8257 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 165 | 3 | 2 | 2 | 0.6 | N[C@@H](C(=O)O)Cc1ccccc1 | 19237584 | ||
DB02556 | 8257 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 165 | 3 | 2 | 2 | 0.6 | N[C@@H](C(=O)O)Cc1ccccc1 | 19237584 | ||
11367166 | 6889 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 160 | 6 | 2 | 2 | 1.4 | CCCCC[C@@H](CC(=O)O)O | 19561068 | ||
2933 | 6889 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 160 | 6 | 2 | 2 | 1.4 | CCCCC[C@@H](CC(=O)O)O | 19561068 | ||
117629482 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
1588 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
1594 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
2835 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
938 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
CHEMBL573 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
DB00627 | 9599 | 140 | None | -26 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 123 | 1 | 1 | 2 | 0.8 | OC(=O)c1cccnc1 | 12522134 | ||
5796 | 6855 | 77 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 160 | 6 | 2 | 2 | 1.4 | CCCCCCC(C(=O)O)O | 19561068 | ||
94180 | 6855 | 77 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 160 | 6 | 2 | 2 | 1.4 | CCCCCCC(C(=O)O)O | 19561068 | ||
CHEMBL4447980 | 6855 | 77 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 160 | 6 | 2 | 2 | 1.4 | CCCCCCC(C(=O)O)O | 19561068 | ||
1152206 | 8222 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 208 | 4 | 3 | 4 | 0.3 | OC(=O)[C@@H](CC(=O)c1ccccc1N)N | 19237584 | ||
5799 | 8222 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 208 | 4 | 3 | 4 | 0.3 | OC(=O)[C@@H](CC(=O)c1ccccc1N)N | 19237584 | ||
6971244 | 8222 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 208 | 4 | 3 | 4 | 0.3 | OC(=O)[C@@H](CC(=O)c1ccccc1N)N | 19237584 | ||
CHEMBL1233899 | 8222 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 208 | 4 | 3 | 4 | 0.3 | OC(=O)[C@@H](CC(=O)c1ccccc1N)N | 19237584 | ||
1597 | 8746 | 80 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 205 | 2 | 1 | 4 | 1.7 | OC(=O)c1ccc2c(c1)nnn2C(C)C | 16480258 | ||
2736690 | 8746 | 80 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 205 | 2 | 1 | 4 | 1.7 | OC(=O)c1ccc2c(c1)nnn2C(C)C | 16480258 | ||
CHEMBL381638 | 8746 | 80 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 205 | 2 | 1 | 4 | 1.7 | OC(=O)c1ccc2c(c1)nnn2C(C)C | 16480258 | ||
12418 | 8258 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 166 | 3 | 2 | 2 | 0.7 | C1=CC=C(C=C1)C[C@@H](C(=O)O)O | 31120900 | ||
444718 | 8258 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 166 | 3 | 2 | 2 | 0.7 | C1=CC=C(C=C1)C[C@@H](C(=O)O)O | 31120900 | ||
DB02494 | 8258 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | Guide to Pharmacology | 166 | 3 | 2 | 2 | 0.7 | C1=CC=C(C=C1)C[C@@H](C(=O)O)O | 31120900 | ||
11715556 | 6908 | 40 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 224 | 5 | 2 | 4 | 2.1 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O | 17931863 | ||
5801 | 6908 | 40 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 224 | 5 | 2 | 4 | 2.1 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O | 17931863 | ||
CHEMBL236011 | 6908 | 40 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 224 | 5 | 2 | 4 | 2.1 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O | 17931863 | ||
44250176 | 7915 | 0 | None | 2951 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 319 | 6 | 2 | 5 | 3.4 | OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1 | 19524438 | ||
5800 | 7915 | 0 | None | 2951 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 319 | 6 | 2 | 5 | 3.4 | OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1 | 19524438 | ||
CHEMBL564300 | 7915 | 0 | None | 2951 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 319 | 6 | 2 | 5 | 3.4 | OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1 | 19524438 | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 12522134 | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 15929991 | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 16389067 | ||
1595 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 17358052 | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 12522134 | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 15929991 | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 16389067 | ||
51576 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 17358052 | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 12522134 | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 15929991 | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 16389067 | ||
CHEMBL278488 | 7047 | 49 | None | -4 | 2 | Human | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 17358052 | ||
11148966 | 7906 | 4 | None | 4 | 2 | Human | 5.3 | pEC50 | None | 5.3 | Functional | Guide to Pharmacology | 232 | 3 | 1 | 3 | 1.9 | CCC1(OC(=CC1=O)C(=O)O)c1ccccc1 | 17358052 | ||
1598 | 7906 | 4 | None | 4 | 2 | Human | 5.3 | pEC50 | None | 5.3 | Functional | Guide to Pharmacology | 232 | 3 | 1 | 3 | 1.9 | CCC1(OC(=CC1=O)C(=O)O)c1ccccc1 | 17358052 | ||
CHEMBL436301 | 7906 | 4 | None | 4 | 2 | Human | 5.3 | pEC50 | None | 5.3 | Functional | Guide to Pharmacology | 232 | 3 | 1 | 3 | 1.9 | CCC1(OC(=CC1=O)C(=O)O)c1ccccc1 | 17358052 | ||
11436345 | 6931 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 17358052 | ||
1599 | 6931 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 17358052 | ||
CHEMBL424938 | 6931 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 238 | 2 | 1 | 4 | 1.8 | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O | 17358052 | ||
53232 | 195404 | 95 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | None | ||
CHEMBL503 | 195404 | 95 | None | 1 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | None |
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 |
1595 | 7047 | 49 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1016/j.bmc.2015.02.018 | |||
51576 | 7047 | 49 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1016/j.bmc.2015.02.018 | |||
CHEMBL278488 | 7047 | 49 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 218 | 2 | 1 | 3 | 1.5 | OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1 | 10.1016/j.bmc.2015.02.018 | |||
135899171 | 22942 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.8 | O=c1[nH]c(OCCCOc2ccccc2Cl)nc2ncccc12 | 10.1016/j.bmcl.2010.07.108 | |||
CHEMBL1224070 | 22942 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.8 | O=c1[nH]c(OCCCOc2ccccc2Cl)nc2ncccc12 | 10.1016/j.bmcl.2010.07.108 |