Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50307302'   

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))	BDBM50307302 (Benzyl-carbamic acid 2-(2-carbamimidoyl-benzo[b]th...) Show SMILES NC(=N)c1cc2c(OC(COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C25H23N3O3S/c26-24(27)23-14-19-20(12-7-13-22(19)32-23)31-21(18-10-5-2-6-11-18)16-30-25(29)28-15-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H3,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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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