Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50031781'   

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))	BDBM50031781 (3-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-6-phenoxy-h...) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO)C(=O)NCCC(O)=O Show InChI InChI=1S/C23H35N3O7/c1-23(2,3)20(22(31)24-13-12-19(28)29)25-21(30)16(15-18(27)26-32)9-7-8-14-33-17-10-5-4-6-11-17/h4-6,10-11,16,20,32H,7-9,12-15H2,1-3H3,(H,24,31)(H,25,30)(H,26,27)(H,28,29)/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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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