Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM256140'   

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))	BDBM256140 (US9487462, 26) Show SMILES Cn1cc(nc1CN(Cc1ccc(F)cc1)Cc1ccc(OCc2ccccc2)cc1)C(F)(F)F Show InChI InChI=1S/C27H25F4N3O/c1-33-17-25(27(29,30)31)32-26(33)18-34(15-20-7-11-23(28)12-8-20)16-21-9-13-24(14-10-21)35-19-22-5-3-2-4-6-22/h2-14,17H,15-16,18-19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
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