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BDBM50122836 CHEMBL102993::[3-Carboxy-2-(3-tetradecyl-ureido)-propyl]-trimethyl-ammonium

SMILES: CCCCCCCCCCCCCCNC(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C

InChI Key: InChIKey=BMZYTDRMCBZVNH-FQEVSTJZSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122836   
Target
(Institution)
LigandTarget
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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CHEMBL
MMDB
PC cid
PC sid
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Similars

AffyNet 
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


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


(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
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.67E+5n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]-palmitoyl-CoA and carnitine binding to carnitine palmitoyltransferase I of rat heart mitochondria


Citation and Details
More data for this
Ligand-Target Pair
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
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.88E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-palmitoyl-CoA and carnitine binding to carnitine palmitoyltransferase I from rat liver mitochondria


Citation and Details
More data for this
Ligand-Target Pair