Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50118967'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50118967 (4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propiony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CCc1ccccc1 Show InChI InChI=1S/C26H27N3O6S/c1-35-21-12-14-22(15-13-21)36(33,34)29-17-20-9-5-6-10-23(20)28(18-24(29)26(31)27-32)25(30)16-11-19-7-3-2-4-8-19/h2-10,12-15,24,32H,11,16-18H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
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