Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM23537'   

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))	BDBM23537 (3-Carboxamide-coumarin deriv., 23 | N-(adamantan-1...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:19.20.24:23,18:19:17.22.16:23,20:19:16:22.23.21,20:21:16:18.19.24| Show InChI InChI=1S/C21H23NO3/c1-12-2-3-18-16(4-12)8-17(20(24)25-18)19(23)22-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	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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