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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 11546   
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))
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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Article
PubMed
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
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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Article
PubMed
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
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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Article
PubMed
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
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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Article
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