Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50031797'   

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))	BDBM50031797 ((R)-2-[4-(4-Chloro-phenoxy)-butyl]-N*1*-((S)-2,2-d...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccc(Cl)cc1)CC(=O)NO)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C28H38ClN3O5/c1-28(2,3)25(27(35)30-17-16-20-9-5-4-6-10-20)31-26(34)21(19-24(33)32-36)11-7-8-18-37-23-14-12-22(29)13-15-23/h4-6,9-10,12-15,21,25,36H,7-8,11,16-19H2,1-3H3,(H,30,35)(H,31,34)(H,32,33)/t21-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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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