Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50096650'   

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))	BDBM50096650 (2-(Biphenyl-4-yloxymethyl)-4-(2,4-dioxo-1,4-dihydr...) Show SMILES ONC(=O)C(CCn1c(=O)[nH]c2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H23N3O5/c29-23(27-32)19(14-15-28-24(30)21-8-4-5-9-22(21)26-25(28)31)16-33-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,32H,14-16H2,(H,26,31)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
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