Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM405867'   

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))	BDBM405867 (US10351558, Example 42) Show SMILES COc1cccc(c1)C1(CCc2nn3cc(C)ccc3c2C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1 Show InChI InChI=1S/C29H26Cl2N6O2/c1-17-7-8-26-22-14-29(10-9-25(22)35-36(26)15-17,19-5-4-6-21(11-19)39-3)33-28(38)27-23(30)12-20(13-24(27)31)37-16-32-18(2)34-37/h4-8,11-13,15-16H,9-10,14H2,1-3H3,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description TBD				US Patent US10351558 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GKR
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