Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-3' and Ligand = 'BDBM50482209'   

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-3 (Mus musculus)	BDBM50482209 (CHEMBL1165176) Show SMILES Cl.N=c1[nH]c(=O)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12 Show InChI InChI=1S/C20H15N7OS/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+7	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Cytotoxicity against human NB-1 cells after 3 days by MTT assay				Eur J Med Chem 45: 2336-44 (2010) Article DOI: 10.1016/j.ejmech.2010.02.011 BindingDB Entry DOI: 10.7270/Q2Z60RW4
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