Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50069603'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50069603 ((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc(cc1)[N+]([O-])=O)C(=O)NO Show InChI InChI=1S/C25H32N4O6S/c1-16(2)13-20(23(30)27-22(25(32)26-3)14-17-7-5-4-6-8-17)21(24(31)28-33)15-36-19-11-9-18(10-12-19)29(34)35/h4-12,16,20-22,33H,13-15H2,1-3H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
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
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