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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)C1CO

InChI Key: InChIKey=JZPTYOWGVQBFLB-TZLYWUISSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240112   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50240112
PNG
(CHEMBL4099442)
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)C1CO |r|
Show InChI InChI=1S/C35H60N7O19P3S/c1-4-5-6-7-8-9-10-23-21(15-43)22(34(48)59-23)17-65-14-13-37-25(44)11-12-38-32(47)29(46)35(2,3)18-57-64(54,55)61-63(52,53)56-16-24-28(60-62(49,50)51)27(45)33(58-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,43,45-46H,4-18H2,1-3H3,(H,37,44)(H,38,47)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t21?,22?,23?,24-,27-,28-,29+,33-/m1/s1
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Article
PubMed
n/an/a 1.57E+4n/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