Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM405972'   

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))	BDBM405972 (US10351558, Example 147) Show SMILES Cc1nncn1-c1ccc(C(=O)N[C@@]2(CCc3c(C(N)=O)c4cc(C)ccc4n3C2)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C30H27ClN6O2/c1-18-8-11-25-23(14-18)27(28(32)38)26-12-13-30(16-36(25)26,20-6-4-3-5-7-20)34-29(39)22-10-9-21(15-24(22)31)37-17-33-35-19(37)2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H2,32,38)(H,34,39)/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.05	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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