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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50043230'   
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))		BDBM50043230
PNG
(3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(O)=O
Show InChI InChI=1S/C20H30N2O5S/c1-12(2)9-15(17(28)11-18(23)24)19(25)22-16(20(26)21-3)10-13-5-7-14(27-4)8-6-13/h5-8,12,15-17,28H,9-11H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,16+,17+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.

J Med Chem 36: 4030-9 (1994)


BindingDB Entry DOI: 10.7270/Q2028QM3
More data for this
Ligand-Target Pair