Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM50146946'   

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))	BDBM50146946 (CHEMBL3763449) Show SMILES Oc1ccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)cc1 Show InChI InChI=1S/C16H9BrClNO4/c17-13-7-9(18)5-8-6-12(16(22)23-14(8)13)15(21)19-10-1-3-11(20)4-2-10/h1-7,20H,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human factor 12a using S-2302 as substrate assessed as para-nitroaniline release preincubated for 10 mins followed by substrate additio...				Eur J Med Chem 110: 181-94 (2016) Article DOI: 10.1016/j.ejmech.2016.01.023 BindingDB Entry DOI: 10.7270/Q29G5PNX
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