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BDBM50388924 CHEMBL2063284

SMILES: Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=LDGXQPOCIGRAMC-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50388924   
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50388924
PNG
(CHEMBL2063284)
Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H31N3O3/c1-17-14-19(6-13-25(33)34)15-18(2)26(17)27-31-23-12-7-20(16-24(23)32-27)28(35)30-22-10-8-21(9-11-22)29(3,4)5/h7-12,14-16H,6,13H2,1-5H3,(H,30,35)(H,31,32)(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in triglyceride synthesis after 2 hrs by LC/MS analysis


ACS Med Chem Lett 3: 411-415 (2012)


Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50388924
PNG
(CHEMBL2063284)
Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H31N3O3/c1-17-14-19(6-13-25(33)34)15-18(2)26(17)27-31-23-12-7-20(16-24(23)32-27)28(35)30-22-10-8-21(9-11-22)29(3,4)5/h7-12,14-16H,6,13H2,1-5H3,(H,30,35)(H,31,32)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells


ACS Med Chem Lett 3: 411-415 (2012)


Article DOI: 10.1021/ml3000512
BindingDB Entry DOI: 10.7270/Q2PC33FT
More data for this
Ligand-Target Pair