Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-3' and Ligand = 'BDBM50482221'   

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)	BDBM50482221 (CHEMBL1163277) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C30H27N7O2S2/c1-21-11-13-23(14-12-21)41(38,39)37-17-15-36(16-18-37)29-24(19-31)28(22-7-3-2-4-8-22)34-30(35-29)40-20-27-32-25-9-5-6-10-26(25)33-27/h2-14H,15-18,20H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+6	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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