Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50112514'   

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))	BDBM50112514 (3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1 |w:24.27| Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
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