Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50307310'   

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))	BDBM50307310 (CHEMBL597143 | [4-(2-Dimethylamino-ethoxy)-phenyl]...) Show SMILES CN(C)CCOc1ccc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-16-34-21-13-11-20(12-14-21)31-28(33)35-18-24(19-7-4-3-5-8-19)36-23-9-6-10-25-22(23)17-26(37-25)27(29)30/h3-14,17,24H,15-16,18H2,1-2H3,(H3,29,30)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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
					More data for this Ligand-Target Pair