Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50307314'   

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))	BDBM50307314 (CHEMBL597557 | [2-Isobutylamino-methyl)-phenyl]-ca...) Show SMILES CC(C)CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C29H32N4O3S/c1-19(2)16-32-17-21-11-6-7-12-23(21)33-29(34)35-18-25(20-9-4-3-5-10-20)36-24-13-8-14-26-22(24)15-27(37-26)28(30)31/h3-15,19,25,32H,16-18H2,1-2H3,(H3,30,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 9a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
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