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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carnitine O-palmitoyltransferase 1, liver isoform' and Ligand = 'BDBM50240113'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)		BDBM50240113
PNG
(CHEMBL4081425)
Show SMILES CCCCCCCCC1OC(=O)C(CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)C1C(O)=O |r|
Show InChI InChI=1S/C35H58N7O20P3S/c1-4-5-6-7-8-9-10-21-24(33(47)48)20(34(49)60-21)16-66-14-13-37-23(43)11-12-38-31(46)28(45)35(2,3)17-58-65(55,56)62-64(53,54)57-15-22-27(61-63(50,51)52)26(44)32(59-22)42-19-41-25-29(36)39-18-40-30(25)42/h18-22,24,26-28,32,44-45H,4-17H2,1-3H3,(H,37,43)(H,38,46)(H,47,48)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/t20?,21?,22-,24?,26-,27-,28+,32-/m1/s1
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



YachayTech University

Curated by ChEMBL


Assay Description
Inhibition of rat wild-type CPT1A expressed in yeast mitochondrial extracts using L-[methyl-3H]carnitine and palmitoyl-CoA as substrates preincubated...

Eur J Med Chem 131: 207-221 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.012
BindingDB Entry DOI: 10.7270/Q2TX3HHF
More data for this
Ligand-Target Pair