Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50062024'   

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))	BDBM50062024 (5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...) Show SMILES CC(C)OC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H28N4O2/c1-14(2)28-20(27)13-18(17-4-3-5-19(12-17)22(25)26)11-8-15-6-9-16(10-7-15)21(23)24/h3-7,9-10,12,14,18H,8,11,13H2,1-2H3,(H3,23,24)(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
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