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BDBM50438698 CHEMBL2414663

SMILES: Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3cnon3)C(=O)c12

InChI Key: InChIKey=VQXTZAVCMXRPAS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50438698   
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 (DGAT1)


(Homo sapiens (Human))
BDBM50438698
PNG
(CHEMBL2414663)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3cnon3)C(=O)c12
Show InChI InChI=1S/C21H21N7O4/c22-18-17-19(24-12-23-18)31-10-9-28(21(17)30)15-3-1-13(2-4-15)14-5-7-27(8-6-14)20(29)16-11-25-32-26-16/h1-4,11-12,14H,5-10H2,(H2,22,23,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50438698
PNG
(CHEMBL2414663)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3cnon3)C(=O)c12
Show InChI InChI=1S/C21H21N7O4/c22-18-17-19(24-12-23-18)31-10-9-28(21(17)30)15-3-1-13(2-4-15)14-5-7-27(8-6-14)20(29)16-11-25-32-26-16/h1-4,11-12,14H,5-10H2,(H2,22,23,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.75E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi...


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair