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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50069612'   
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))		BDBM50069612
PNG
(2-[(2S,3R)-2-Hydroxycarbamoyl-5-methyl-3-((S)-1-me...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1C(=O)OC)C(=O)NO
Show InChI InChI=1S/C27H35N3O6S/c1-17(2)14-20(24(31)29-22(26(33)28-3)15-18-10-6-5-7-11-18)21(25(32)30-35)16-37-23-13-9-8-12-19(23)27(34)36-4/h5-13,17,20-22,35H,14-16H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t20-,21+,22+/m1/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards human recombinant fibroblast collagenase

Bioorg Med Chem Lett 8: 29-34 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair