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PubMed code 14643312

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADAM17


(Sus scrofa (pig))
BDBM50104975
PNG
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50104975
PNG
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50104975
PNG
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104975
PNG
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136254
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C23H23N3O4/c27-22(17-5-3-6-18(17)23(28)26-29)25-16-10-8-15(9-11-16)14-30-21-12-13-24-20-7-2-1-4-19(20)21/h1-2,4,7-13,17-18,29H,3,5-6,14H2,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136250
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(18-5-1-2-6-19(18)24(29)27-30)26-17-11-9-16(10-12-17)15-31-22-13-14-25-21-8-4-3-7-20(21)22/h3-4,7-14,18-19,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t18-,19-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136251
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136249
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-{[4-(...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H20Cl2N2O4/c21-13-8-12(9-14(22)10-13)11-28-16-6-4-15(5-7-16)23-19(25)17-2-1-3-18(17)20(26)24-27/h4-10,17-18,27H,1-3,11H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136253
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-18(16-2-1-3-17(16)19(24)22-25)21-14-4-6-15(7-5-14)26-12-13-8-10-20-11-9-13/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136252
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(4-b...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O4/c23-19(17-7-4-8-18(17)20(24)22-25)21-15-9-11-16(12-10-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50136256
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(cc1)C#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C25H23N3O3/c29-24(21-5-1-2-6-22(21)25(30)28-31)27-20-12-9-17(10-13-20)7-8-18-11-14-23-19(16-18)4-3-15-26-23/h3-4,9-16,21-22,31H,1-2,5-6H2,(H,27,29)(H,28,30)/t21-,22-/m0/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136256
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(cc1)C#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C25H23N3O3/c29-24(21-5-1-2-6-22(21)25(30)28-31)27-20-12-9-17(10-13-20)7-8-18-11-14-23-19(16-18)4-3-15-26-23/h3-4,9-16,21-22,31H,1-2,5-6H2,(H,27,29)(H,28,30)/t21-,22-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136253
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-18(16-2-1-3-17(16)19(24)22-25)21-14-4-6-15(7-5-14)26-12-13-8-10-20-11-9-13/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136249
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-{[4-(...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H20Cl2N2O4/c21-13-8-12(9-14(22)10-13)11-28-16-6-4-15(5-7-16)23-19(25)17-2-1-3-18(17)20(26)24-27/h4-10,17-18,27H,1-3,11H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136250
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(18-5-1-2-6-19(18)24(29)27-30)26-17-11-9-16(10-12-17)15-31-22-13-14-25-21-8-4-3-7-20(21)22/h3-4,7-14,18-19,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t18-,19-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136252
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(4-b...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O4/c23-19(17-7-4-8-18(17)20(24)22-25)21-15-9-11-16(12-10-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50136254
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C23H23N3O4/c27-22(17-5-3-6-18(17)23(28)26-29)25-16-10-8-15(9-11-16)14-30-21-12-13-24-20-7-2-1-4-19(20)21/h1-2,4,7-13,17-18,29H,3,5-6,14H2,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136248
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2cccc3ncccc23)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(18-5-1-2-6-19(18)24(29)27-30)26-17-12-10-16(11-13-17)15-31-22-9-3-8-21-20(22)7-4-14-25-21/h3-4,7-14,18-19,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t18-,19-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136250
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(18-5-1-2-6-19(18)24(29)27-30)26-17-11-9-16(10-12-17)15-31-22-13-14-25-21-8-4-3-7-20(21)22/h3-4,7-14,18-19,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t18-,19-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136251
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136254
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C23H23N3O4/c27-22(17-5-3-6-18(17)23(28)26-29)25-16-10-8-15(9-11-16)14-30-21-12-13-24-20-7-2-1-4-19(20)21/h1-2,4,7-13,17-18,29H,3,5-6,14H2,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136255
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccc3ncccc3c2)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(20-5-1-2-6-21(20)24(29)27-30)26-18-9-7-16(8-10-18)15-31-19-11-12-22-17(14-19)4-3-13-25-22/h3-4,7-14,20-21,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t20-,21-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136249
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-{[4-(...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H20Cl2N2O4/c21-13-8-12(9-14(22)10-13)11-28-16-6-4-15(5-7-16)23-19(25)17-2-1-3-18(17)20(26)24-27/h4-10,17-18,27H,1-3,11H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136252
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(4-b...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O4/c23-19(17-7-4-8-18(17)20(24)22-25)21-15-9-11-16(12-10-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136253
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-18(16-2-1-3-17(16)19(24)22-25)21-14-4-6-15(7-5-14)26-12-13-8-10-20-11-9-13/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50136256
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(cc1)C#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C25H23N3O3/c29-24(21-5-1-2-6-22(21)25(30)28-31)27-20-12-9-17(10-13-20)7-8-18-11-14-23-19(16-18)4-3-15-26-23/h3-4,9-16,21-22,31H,1-2,5-6H2,(H,27,29)(H,28,30)/t21-,22-/m0/s1
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136250
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(18-5-1-2-6-19(18)24(29)27-30)26-17-11-9-16(10-12-17)15-31-22-13-14-25-21-8-4-3-7-20(21)22/h3-4,7-14,18-19,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t18-,19-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136254
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C23H23N3O4/c27-22(17-5-3-6-18(17)23(28)26-29)25-16-10-8-15(9-11-16)14-30-21-12-13-24-20-7-2-1-4-19(20)21/h1-2,4,7-13,17-18,29H,3,5-6,14H2,(H,25,27)(H,26,28)/t17-,18-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136248
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2cccc3ncccc23)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(18-5-1-2-6-19(18)24(29)27-30)26-17-12-10-16(11-13-17)15-31-22-9-3-8-21-20(22)7-4-14-25-21/h3-4,7-14,18-19,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t18-,19-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136249
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-{[4-(...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H20Cl2N2O4/c21-13-8-12(9-14(22)10-13)11-28-16-6-4-15(5-7-16)23-19(25)17-2-1-3-18(17)20(26)24-27/h4-10,17-18,27H,1-3,11H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136255
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2ccc3ncccc3c2)cc1
Show InChI InChI=1S/C24H25N3O4/c28-23(20-5-1-2-6-21(20)24(29)27-30)26-18-9-7-16(8-10-18)15-31-19-11-12-22-17(14-19)4-3-13-25-22/h3-4,7-14,20-21,30H,1-2,5-6,15H2,(H,26,28)(H,27,29)/t20-,21-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136257
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-[(4-be...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O4/c24-20(18-8-4-5-9-19(18)21(25)23-26)22-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19,26H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-,19-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136252
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(4-b...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O4/c23-19(17-7-4-8-18(17)20(24)22-25)21-15-9-11-16(12-10-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,25H,4,7-8,13H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136251
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136253
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-18(16-2-1-3-17(16)19(24)22-25)21-14-4-6-15(7-5-14)26-12-13-8-10-20-11-9-13/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136256
PNG
((1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydrox...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(cc1)C#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C25H23N3O3/c29-24(21-5-1-2-6-22(21)25(30)28-31)27-20-12-9-17(10-13-20)7-8-18-11-14-23-19(16-18)4-3-15-26-23/h3-4,9-16,21-22,31H,1-2,5-6H2,(H,27,29)(H,28,30)/t21-,22-/m0/s1
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n/an/a 7.24E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%