BDBM50403045 CHEMBL2216773
SMILES: COc1ccc(CN2CCN(CCCSc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)c(OC)c1OC
InChI Key: InChIKey=GMNFEHDZQAODON-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50403045 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Carnitine O-palmitoyltransferase 1, liver isoform
(Homo sapiens (Human)) | BDBM50403045
(CHEMBL2216773)Show SMILES COc1ccc(CN2CCN(CCCSc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)c(OC)c1OC Show InChI InChI=1S/C31H48N2O4S/c1-30(2,3)24-19-23(20-25(27(24)34)31(4,5)6)38-18-10-13-32-14-16-33(17-15-32)21-22-11-12-26(35-7)29(37-9)28(22)36-8/h11-12,19-20,34H,10,13-18,21H2,1-9H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.68E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CPT1 in heart mitochondria |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 1, liver isoform
(Homo sapiens (Human)) | BDBM50403045
(CHEMBL2216773)Show SMILES COc1ccc(CN2CCN(CCCSc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)c(OC)c1OC Show InChI InChI=1S/C31H48N2O4S/c1-30(2,3)24-19-23(20-25(27(24)34)31(4,5)6)38-18-10-13-32-14-16-33(17-15-32)21-22-11-12-26(35-7)29(37-9)28(22)36-8/h11-12,19-20,34H,10,13-18,21H2,1-9H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CPT1 in liver mitochondria |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
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