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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 1462   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11554
PNG
((3R)-N-hydroxy-1,1-dioxo-2-{[4-(pyridin-4-yl)pheny...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C17H19N3O4S/c21-17(19-22)16-2-1-11-25(23,24)20(16)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h3-10,16,22H,1-2,11-12H2,(H,19,21)/t16-/m1/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11552
PNG
((3R)-2-[(4-chloro-1,1-biphenyl-4-yl)methyl]-N-hydr...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
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<2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11554
PNG
((3R)-N-hydroxy-1,1-dioxo-2-{[4-(pyridin-4-yl)pheny...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C17H19N3O4S/c21-17(19-22)16-2-1-11-25(23,24)20(16)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h3-10,16,22H,1-2,11-12H2,(H,19,21)/t16-/m1/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11553
PNG
((3R)-2-[(4-tert-butyl-1,1-biphenyl-4-yl)methyl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11552
PNG
((3R)-2-[(4-chloro-1,1-biphenyl-4-yl)methyl]-N-hydr...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
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<3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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3.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11553
PNG
((3R)-2-[(4-tert-butyl-1,1-biphenyl-4-yl)methyl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11552
PNG
((3R)-2-[(4-chloro-1,1-biphenyl-4-yl)methyl]-N-hydr...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11553
PNG
((3R)-2-[(4-tert-butyl-1,1-biphenyl-4-yl)methyl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11554
PNG
((3R)-N-hydroxy-1,1-dioxo-2-{[4-(pyridin-4-yl)pheny...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C17H19N3O4S/c21-17(19-22)16-2-1-11-25(23,24)20(16)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h3-10,16,22H,1-2,11-12H2,(H,19,21)/t16-/m1/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11546
PNG
((3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiaz...)
Show SMILES ONC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
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28.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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46.7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11546
PNG
((3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiaz...)
Show SMILES ONC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
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206n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11552
PNG
((3R)-2-[(4-chloro-1,1-biphenyl-4-yl)methyl]-N-hydr...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
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318 -37.1n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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433n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11546
PNG
((3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiaz...)
Show SMILES ONC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
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447n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11545
PNG
(2-(1,1-biphenyl-4-yl)-N-hydroxyisothiazolidine-3-c...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c19-16(17-20)15-10-11-23(21,22)18(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)
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667n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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702n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11545
PNG
(2-(1,1-biphenyl-4-yl)-N-hydroxyisothiazolidine-3-c...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c19-16(17-20)15-10-11-23(21,22)18(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)
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904n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
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938 -34.4n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11554
PNG
((3R)-N-hydroxy-1,1-dioxo-2-{[4-(pyridin-4-yl)pheny...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C17H19N3O4S/c21-17(19-22)16-2-1-11-25(23,24)20(16)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h3-10,16,22H,1-2,11-12H2,(H,19,21)/t16-/m1/s1
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1.09E+3 -34.0n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11550
PNG
(N-hydroxy-2-[(2-methyl-1,1-biphenyl-4-yl)methyl]is...)
Show SMILES Cc1ccccc1-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11549
PNG
(2-[(3,5-dichloro-1,1-biphenyl-4-yl)methyl]-N-hydro...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11545
PNG
(2-(1,1-biphenyl-4-yl)-N-hydroxyisothiazolidine-3-c...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c19-16(17-20)15-10-11-23(21,22)18(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11553
PNG
((3R)-2-[(4-tert-butyl-1,1-biphenyl-4-yl)methyl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
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3.17E+3 -31.4n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11549
PNG
(2-[(3,5-dichloro-1,1-biphenyl-4-yl)methyl]-N-hydro...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11550
PNG
(N-hydroxy-2-[(2-methyl-1,1-biphenyl-4-yl)methyl]is...)
Show SMILES Cc1ccccc1-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11550
PNG
(N-hydroxy-2-[(2-methyl-1,1-biphenyl-4-yl)methyl]is...)
Show SMILES Cc1ccccc1-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11549
PNG
(2-[(3,5-dichloro-1,1-biphenyl-4-yl)methyl]-N-hydro...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11545
PNG
(2-(1,1-biphenyl-4-yl)-N-hydroxyisothiazolidine-3-c...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c19-16(17-20)15-10-11-23(21,22)18(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11546
PNG
((3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiaz...)
Show SMILES ONC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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PubMed
>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11550
PNG
(N-hydroxy-2-[(2-methyl-1,1-biphenyl-4-yl)methyl]is...)
Show SMILES Cc1ccccc1-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11549
PNG
(2-[(3,5-dichloro-1,1-biphenyl-4-yl)methyl]-N-hydro...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair