Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM256134'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM256134 (US9487462, 16) Show SMILES CCOC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccnc2)n1 Show InChI InChI=1S/C27H27N3O3S/c1-2-32-27(31)25-20-34-26(29-25)18-30(17-23-9-6-14-28-15-23)16-21-10-12-24(13-11-21)33-19-22-7-4-3-5-8-22/h3-15,20H,2,16-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+5	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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