Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM50180541'   

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))	BDBM50180541 (4-guanidinophenyl 6-(chloromethyl)-2-oxo-2H-chrome...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8]-[#6](=O)-c2cc3cc(-[#6]Cl)ccc3oc2=O)cc1 Show InChI InChI=1S/C18H14ClN3O4/c19-9-10-1-6-15-11(7-10)8-14(17(24)26-15)16(23)25-13-4-2-12(3-5-13)22-18(20)21/h1-8H,9H2,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human factor 12a				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112753 BindingDB Entry DOI: 10.7270/Q2542S7Z
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