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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 = 'BDBM50363956'   
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))
BDBM50363956
PNG
(CHEMBL1952025)
Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(26.2,1.37,;26.2,-.17,;24.87,-.94,;24.87,-2.48,;26.21,-3.25,;27.53,-2.49,;28.87,-3.26,;30.21,-2.49,;30.22,-.94,;28.87,-.15,;28.87,1.38,;27.54,-.93,;31.55,-.18,;32.88,-.95,;34.21,-.19,;34.22,1.35,;32.88,2.13,;31.55,1.36,;35.56,2.12,;35.56,3.65,;36.9,4.42,;38.23,3.64,;39.57,4.4,;40.89,3.63,;40.89,2.09,;42.23,4.39,;38.22,2.1,;36.89,1.34,)|
Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr...


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50363956
PNG
(CHEMBL1952025)
Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(26.2,1.37,;26.2,-.17,;24.87,-.94,;24.87,-2.48,;26.21,-3.25,;27.53,-2.49,;28.87,-3.26,;30.21,-2.49,;30.22,-.94,;28.87,-.15,;28.87,1.38,;27.54,-.93,;31.55,-.18,;32.88,-.95,;34.21,-.19,;34.22,1.35,;32.88,2.13,;31.55,1.36,;35.56,2.12,;35.56,3.65,;36.9,4.42,;38.23,3.64,;39.57,4.4,;40.89,3.63,;40.89,2.09,;42.23,4.39,;38.22,2.1,;36.89,1.34,)|
Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair