Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM352468'   

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 IX (Homo sapiens (Human))	BDBM352468 (US9809545, 3Ce) Show SMILES Fc1ccc(C[C@H](c2nc3cc(F)ccc3[nH]2)n2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C27H18ClF2N7O/c28-18-3-8-24(37-15-31-34-35-37)21(13-18)17-9-10-36(26(38)12-17)25(11-16-1-4-19(29)5-2-16)27-32-22-7-6-20(30)14-23(22)33-27/h1-10,12-15,25H,11H2,(H,32,33)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9809545 (2017) BindingDB Entry DOI: 10.7270/Q24Q7X4Q
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