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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1 (DGAT1)' and Ligand = 'BDBM50438721'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50438721
PNG
(CHEMBL2414653)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC[C@@H](O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:26.27,19.20,(19.71,-48.18,;19.76,-49.73,;18.45,-50.55,;18.5,-52.09,;19.87,-52.82,;21.18,-51.99,;22.42,-52.92,;23.92,-52.52,;24.53,-51.1,;23.81,-49.73,;24.74,-48.5,;24.14,-47.07,;25.06,-45.84,;26.57,-46.03,;27.17,-47.43,;26.26,-48.65,;27.51,-44.78,;26.9,-43.34,;27.82,-42.12,;29.33,-42.3,;30.27,-41.05,;31.78,-41.23,;32.38,-42.64,;32.72,-39.99,;34.25,-39.98,;34.73,-38.52,;33.5,-37.6,;33.51,-36.06,;32.24,-38.5,;29.93,-43.7,;29.01,-44.92,;22.3,-49.44,;21.9,-47.96,;21.13,-50.45,)|
Show InChI InChI=1S/C25H31N5O4/c26-23-22-24(28-15-27-23)34-12-11-30(25(22)33)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-21(32)29-10-9-20(31)14-29/h5-8,15-17,20,31H,1-4,9-14H2,(H2,26,27,28)/t16-,17-,20-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50438721
PNG
(CHEMBL2414653)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC[C@@H](O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:26.27,19.20,(19.71,-48.18,;19.76,-49.73,;18.45,-50.55,;18.5,-52.09,;19.87,-52.82,;21.18,-51.99,;22.42,-52.92,;23.92,-52.52,;24.53,-51.1,;23.81,-49.73,;24.74,-48.5,;24.14,-47.07,;25.06,-45.84,;26.57,-46.03,;27.17,-47.43,;26.26,-48.65,;27.51,-44.78,;26.9,-43.34,;27.82,-42.12,;29.33,-42.3,;30.27,-41.05,;31.78,-41.23,;32.38,-42.64,;32.72,-39.99,;34.25,-39.98,;34.73,-38.52,;33.5,-37.6,;33.51,-36.06,;32.24,-38.5,;29.93,-43.7,;29.01,-44.92,;22.3,-49.44,;21.9,-47.96,;21.13,-50.45,)|
Show InChI InChI=1S/C25H31N5O4/c26-23-22-24(28-15-27-23)34-12-11-30(25(22)33)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-21(32)29-10-9-20(31)14-29/h5-8,15-17,20,31H,1-4,9-14H2,(H2,26,27,28)/t16-,17-,20-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 148n/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