Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM406028'   

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))	BDBM406028 (US10351558, Example 203) Show SMILES COc1ncc(cn1)-c1c2CC[C@](Cn2c2ccc(C)cc12)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C33H28ClN7O2/c1-21-8-11-28-26(14-21)30(22-16-35-32(43-2)36-17-22)29-12-13-33(18-41(28)29,23-6-4-3-5-7-23)39-31(42)25-10-9-24(15-27(25)34)40-19-37-38-20-40/h3-11,14-17,19-20H,12-13,18H2,1-2H3,(H,39,42)/t33-/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	1.71	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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