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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 50000927,50002717   
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 palmitoyltransferase 1A


(Rattus norvegicus)
BDBM50122836
PNG
(CHEMBL102993 | [3-Carboxy-2-(3-tetradecyl-ureido)-...)
Show SMILES CCCCCCCCCCCCCCNC(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
360n/an/an/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver carnitine palmitoyltransferase I


J Med Chem 46: 303-9 (2003)

More data for this
Ligand-Target Pair
Carnitine palmitoyltransferase 1A


(Rattus norvegicus)
BDBM50033117
PNG
(CHEMBL114113 | [3-Carboxy-2-(hydroxy-tetradecyloxy...)
Show SMILES CCCCCCCCCCCCCCOP([O-])(=O)O[C@H](CC(O)=O)C[N+](C)(C)C
Show InChI InChI=1S/C21H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-29(25,26)28-20(18-21(23)24)19-22(2,3)4/h20H,5-19H2,1-4H3,(H-,23,24,25,26)/t20-/m1/s1
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PC cid
PC sid
UniChem
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Sandoz Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of carnitine palmitoyltransferase I withrespect to palmitoyl CoA in rat


Citation and Details
More data for this
Ligand-Target Pair
Carnitine palmitoyltransferase 1A


(Rattus norvegicus)
BDBM50046145
PNG
(2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...)
Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1
Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase I activity in intact mitochondria from rat liver


Citation and Details
More data for this
Ligand-Target Pair