Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM22849'   

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))	BDBM22849 (1,2-Dione-Based Compound, 6 | 1,2-bis(2,4,6-trimet...) Show SMILES Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1 Show InChI InChI=1S/C20H22O2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.04E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
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