Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50297231'   

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))	BDBM50297231 ((S)-2-(4'-(4-(dimethylamino)-3-methylbenzofuran-2-...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N(C)C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H31N3O6S/c1-17(2)26(29(34)35)31-39(36,37)22-15-11-20(12-16-22)19-9-13-21(14-10-19)30-28(33)27-18(3)25-23(32(4)5)7-6-8-24(25)38-27/h6-17,26,31H,1-5H3,(H,30,33)(H,34,35)/t26-/m0/s1	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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
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