Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50114496'   

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))	BDBM50114496 (2-(3-Carbamimidoyl-phenoxy)-4-nitro-N-(2'-sulfamoy...) Show SMILES NC(=N)c1cccc(Oc2cc(ccc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C26H21N5O6S/c27-25(28)17-4-3-5-20(14-17)37-23-15-19(31(33)34)12-13-22(23)26(32)30-18-10-8-16(9-11-18)21-6-1-2-7-24(21)38(29,35)36/h1-15H,(H3,27,28)(H,30,32)(H2,29,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.80	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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