Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50082224'   

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))	BDBM50082224 ((2R,3S)-N*4*-((S)-1-Carbamoyl-2-phenyl-ethyl)-2,N*...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccc(O)cc2c1)[C@H](O)C(=O)NO Show InChI InChI=1S/C24H25N3O6/c25-22(30)20(12-14-4-2-1-3-5-14)26-23(31)19(21(29)24(32)27-33)11-15-6-7-16-8-9-18(28)13-17(16)10-15/h1-10,13,19-21,28-29,33H,11-12H2,(H2,25,30)(H,26,31)(H,27,32)/t19-,20+,21+/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloproteinase(MMP-1)				Bioorg Med Chem Lett 9: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2MK6C37
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