Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM256133'   

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))	BDBM256133 (US9487462, 15) Show SMILES OC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H21FN2O2S/c26-22-12-8-19(9-13-22)15-28(16-24-27-23(17-31-24)25(29)30)14-18-6-10-21(11-7-18)20-4-2-1-3-5-20/h1-13,17H,14-16H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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
					More data for this Ligand-Target Pair