Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM405962'   

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))	BDBM405962 (US10351558, Example 137) Show SMILES Cc1ccc2n3C[C@@](CCc3c(\C=N\O)c2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25ClN6O2/c1-19-7-10-26-23(13-19)24(15-33-38)27-11-12-29(16-36(26)27,20-5-3-2-4-6-20)34-28(37)22-9-8-21(14-25(22)30)35-17-31-32-18-35/h2-10,13-15,17-18,38H,11-12,16H2,1H3,(H,34,37)/b33-15+/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.38	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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