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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carnitine O-palmitoyltransferase 1, muscle isoform' and Ligand = 'BDBM50403028'   
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, muscle isoform


(Homo sapiens (Human))
BDBM50403028
PNG
(CHEMBL2216769)
Show SMILES CCCCCCCC[C@H]1OC(=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)cnnc23)[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C35H58N7O20P3S/c1-4-5-6-7-8-9-10-22-25(33(47)48)20(34(49)60-22)17-66-14-13-37-24(43)11-12-38-31(46)29(45)35(2,3)18-58-65(55,56)62-64(53,54)57-16-23-28(61-63(50,51)52)27(44)32(59-23)42-19-39-26-21(36)15-40-41-30(26)42/h15,19-20,22-23,25,27-29,32,44-45H,4-14,16-18H2,1-3H3,(H2,36,41)(H,37,43)(H,38,46)(H,47,48)(H,53,54)(H,55,56)(H2,50,51,52)/t20?,22-,23-,25+,27-,28-,29+,32-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CPT1B


J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
More data for this
Ligand-Target Pair