Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50224842'   

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))	BDBM50224842 (1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
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