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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50429240'   
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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50429240
PNG
(CHEMBL2333280)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3ccccc3c2)C(=O)NO)cc1OC
Show InChI InChI=1S/C24H23NO6/c1-29-20-11-8-17(14-21(20)30-2)15-22(24(27)25-28)31-23(26)12-9-16-7-10-18-5-3-4-6-19(18)13-16/h3-14,22,28H,15H2,1-2H3,(H,25,27)/b12-9+
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MMDB

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Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...

Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair