Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Long-chain fatty acid transport protein 4' and Ligand = 'BDBM50186022'   

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
Long-chain fatty acid transport protein 4 (Homo sapiens (Human))	BDBM50186022 ((cis)-4-ethylcyclohexyl 6-methyl-4-(4-nitrophenyl)...) Show SMILES CC[C@H]1CC[C@H](CC1)OC(=O)C1C(NC(=O)N=C1C)c1ccc(cc1)[N+]([O-])=O |wU:5.8,2.1,c:17,(24.45,-.83,;23.12,-.05,;21.78,-.81,;21.77,-2.35,;20.44,-3.1,;19.12,-2.32,;19.11,-.79,;20.45,-.03,;17.78,-3.09,;16.45,-2.31,;16.46,-.77,;15.1,-3.09,;13.76,-2.31,;12.42,-3.08,;12.42,-4.63,;11.09,-5.43,;13.76,-5.4,;15.09,-4.64,;16.41,-5.45,;13.77,-.76,;15.1,.02,;15.09,1.57,;13.76,2.33,;12.43,1.56,;12.44,.01,;13.76,3.86,;15.09,4.64,;12.43,4.65,)| Show InChI InChI=1S/C20H25N3O5/c1-3-13-4-10-16(11-5-13)28-19(24)17-12(2)21-20(25)22-18(17)14-6-8-15(9-7-14)23(26)27/h6-9,13,16-18H,3-5,10-11H2,1-2H3,(H,22,25)/t13-,16+,17?,18?	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human FATP4-mediated 12-BODIPY-lauric acid uptake in HEK293 cells				Bioorg Med Chem Lett 16: 3504-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.102 BindingDB Entry DOI: 10.7270/Q2K9373C
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