Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50307279'   

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))	BDBM50307279 ((2-Aminomethyl-phenyl)-carbamic acid 2-(2-carbamim...) Show SMILES NCc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C25H23FN4O3S/c26-17-10-20(18-12-23(24(28)29)34-22(18)11-17)33-21(15-6-2-1-3-7-15)14-32-25(31)30-19-9-5-4-8-16(19)13-27/h1-12,21H,13-14,27H2,(H3,28,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	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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