Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50082537'   

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))	BDBM50082537 ((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thi...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-3.				J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32
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