Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50114485'   

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 X (Homo sapiens (Human))	BDBM50114485 (CHEMBL46770 | [[2-(3-Carbamimidoyl-phenoxy)-ethyl]...) Show SMILES NC(=N)c1cccc(OCCN(CC(O)=O)C(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C24H24N4O6S/c25-23(26)18-4-3-5-19(14-18)34-13-12-28(15-22(29)30)24(31)17-10-8-16(9-11-17)20-6-1-2-7-21(20)35(27,32)33/h1-11,14H,12-13,15H2,(H3,25,26)(H,29,30)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory activity against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1657-61 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q2T
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