Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50224845'   

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))	BDBM50224845 (5-(2-ethoxyethyl)-5-(4-(4-(6-fluoro-1H-benzo[d]imi...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(F)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23FN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	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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