Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50112490'   

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))	BDBM50112490 (CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of coagulation factor Xa				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
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