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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50070257'   
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
Collagenase


(Homo sapiens (Human))
BDBM50070257
PNG
((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...)
Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair