Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50031773'   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50031773 ((R)-2-[4-(4-Chloro-phenoxy)-butyl]-N*1*-((S)-2,2-d...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H32ClN3O5/c1-21(2,3)18(20(28)23-4)24-19(27)14(13-17(26)25-29)7-5-6-12-30-16-10-8-15(22)9-11-16/h8-11,14,18,29H,5-7,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory potency against human stromelysin, MMP-3				J Med Chem 38: 2570-81 (1995) BindingDB Entry DOI: 10.7270/Q2GM86B5
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