Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM23542'   

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
Coagulation factor XII (Homo sapiens (Human))	BDBM23542 (3-Carboxamide-coumarin deriv., 27 | 6-methyl-2-oxo...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cnc2ccccc2c1 Show InChI InChI=1S/C20H14N2O3/c1-12-6-7-18-14(8-12)10-16(20(24)25-18)19(23)22-15-9-13-4-2-3-5-17(13)21-11-15/h2-11H,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	7.9	22
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
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