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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50429257'   
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))		BDBM50429257
PNG
(CHEMBL2331574)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)C(F)(F)F)C(O)=O)cc1OC
Show InChI InChI=1S/C21H19F3O6/c1-28-16-9-5-14(11-17(16)29-2)12-18(20(26)27)30-19(25)10-6-13-3-7-15(8-4-13)21(22,23)24/h3-11,18H,12H2,1-2H3,(H,26,27)/b10-6+
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MMDB

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Article
PubMed
n/an/a 3.89E+4n/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