Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM256124'   

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))	BDBM256124 (US9487462, 5) Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccc(F)c2)n1 Show InChI InChI=1S/C26H23FN2O3S/c27-22-8-4-7-21(13-22)15-29(16-25-28-24(18-33-25)26(30)31)14-19-9-11-23(12-10-19)32-17-20-5-2-1-3-6-20/h1-13,18H,14-17H2,(H,30,31)	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	4.70E+3	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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