Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-3' and Ligand = 'BDBM50078940'   

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)	BDBM50078940 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C41H41N4O6P/c42-39(46)37(24-33-25-43-36-18-10-9-17-35(33)36)44-40(47)34(22-30-19-20-31-15-7-8-16-32(31)21-30)27-52(49,50)38(23-28-11-3-1-4-12-28)45-41(48)51-26-29-13-5-2-6-14-29/h1-21,25,34,37-38,43H,22-24,26-27H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-11.				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
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