Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50097762'   

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))	BDBM50097762 (CHEMBL162596 | N-{[(4-Aminomethyl-cyclohexylmethyl...) Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2cccc3ccccc23)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;10.09,-3.97,;8.24,-4.79,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;4.09,.16,;5.42,-.59,;5.42,-2.15,;4.09,-2.9,;2.76,-2.13,;7.73,-5.89,;9.67,-5.07,)| Show InChI InChI=1S/C28H33N5O2/c29-16-18-11-13-19(14-12-18)17-32-28(35)25(24-10-4-6-20-5-1-2-9-23(20)24)33-27(34)22-8-3-7-21(15-22)26(30)31/h1-10,15,18-19,25H,11-14,16-17,29H2,(H3,30,31)(H,32,35)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human coagulation factor Xa				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
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