Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50167490'   

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))	BDBM50167490 (4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,...) Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O6/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-27(38)33-26(30)37)35-15-13-34(14-16-35)28(39)41-29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 2970-3 (2005) Article DOI: 10.1016/j.bmcl.2005.04.039 BindingDB Entry DOI: 10.7270/Q2028R2B
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