Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM352460'   

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))	BDBM352460 (US9809545, 1Ef) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C28H21ClN6O4/c29-21-8-11-24(35-17-30-32-33-35)23(16-21)20-12-13-34(26(36)15-20)25(14-18-4-2-1-3-5-18)27(37)31-22-9-6-19(7-10-22)28(38)39/h1-13,15-17,25H,14H2,(H,31,37)(H,38,39)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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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