Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM405910'   

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))	BDBM405910 (US10351558, Example 85) Show SMILES Cc1ccc2n3CC(CC(F)(F)c3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 Show InChI InChI=1S/C27H21ClF2N6O/c1-17-7-10-23-22(11-17)33-25-27(29,30)13-26(14-36(23)25,18-5-3-2-4-6-18)34-24(37)20-9-8-19(12-21(20)28)35-15-31-32-16-35/h2-12,15-16H,13-14H2,1H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.56	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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