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Compile Data Set for Download or QSAR

Found 2 hits of Enz. Inhib. data with enzyme = 'Collagenase' and Substrate = 'BDBM234337'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM234334
PNG
(GM6001)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.260n/an/an/an/a7.537



Huazhong University of Science and Technology



Assay Description
The MMP-9 assay was performed in 50 mM Tris-HCl buffer (pH 7.5, 10mM CaCl2, 150mM NaCl, 0.05% Brij-35). Then, 30ng Active MMP-9 was added to 50 μ...


J Enzyme Inhib Med Chem 26: 181-7 (2011)


Article DOI: 10.3109/14756366.2010.487485
BindingDB Entry DOI: 10.7270/Q2JM28J1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM234335
PNG
(Inhibitor A)
Show SMILES ONC(=O)Cc1cc2ccccc2oc1=O
Show InChI InChI=1S/C11H9NO4/c13-10(12-15)6-8-5-7-3-1-2-4-9(7)16-11(8)14/h1-5,15H,6H2,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 537n/an/an/an/a7.537



Huazhong University of Science and Technology



Assay Description
The MMP-9 assay was performed in 50 mM Tris-HCl buffer (pH 7.5, 10mM CaCl2, 150mM NaCl, 0.05% Brij-35). Then, 30ng Active MMP-9 was added to 50 μ...


J Enzyme Inhib Med Chem 26: 181-7 (2011)


Article DOI: 10.3109/14756366.2010.487485
BindingDB Entry DOI: 10.7270/Q2JM28J1
More data for this
Ligand-Target Pair