Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50057044'   

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))	BDBM50057044 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(=O)NC)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C32H45N3O5/c1-7-8-9-26(31(39)40)20-25(29(37)35-27(30(38)34-6)32(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-24(19-17-23)28(36)33-5/h10-11,13-14,16-19,25-27H,7-9,12,15,20H2,1-6H3,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/t25-,26+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
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