Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50112521'   

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))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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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