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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020083'   
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


(Mus musculus (mouse))
BDBM50020083
PNG
(CHEMBL3287872)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)c1nc2ccccc2o1 |r,wU:4.3,wD:7.10,(3.07,-6.86,;4.61,-6.86,;5.38,-5.53,;5.38,-8.2,;6.92,-8.2,;7.69,-6.86,;9.23,-6.86,;10,-8.2,;9.23,-9.53,;7.69,-9.53,;11.54,-8.2,;12.31,-6.86,;13.85,-6.86,;14.62,-8.2,;13.85,-9.53,;12.31,-9.53,;16.16,-8.2,;16.93,-9.53,;18.47,-9.53,;19.24,-8.2,;20.78,-8.2,;21.55,-6.86,;20.78,-5.53,;19.24,-5.53,;18.47,-6.86,;16.93,-6.86,;21.55,-9.53,;20.92,-10.94,;22.07,-11.97,;22.07,-13.51,;23.4,-14.28,;24.73,-13.51,;24.73,-11.97,;23.4,-11.2,;23.08,-9.69,)|
Show InChI InChI=1S/C29H28N2O4/c32-28(33)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-14-25-27(18-23)34-16-15-31(25)29-30-24-3-1-2-4-26(24)35-29/h1-4,9-14,18-20H,5-8,15-17H2,(H,32,33)/t19-,20-
PDB

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...


ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50020083
PNG
(CHEMBL3287872)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)c1nc2ccccc2o1 |r,wU:4.3,wD:7.10,(3.07,-6.86,;4.61,-6.86,;5.38,-5.53,;5.38,-8.2,;6.92,-8.2,;7.69,-6.86,;9.23,-6.86,;10,-8.2,;9.23,-9.53,;7.69,-9.53,;11.54,-8.2,;12.31,-6.86,;13.85,-6.86,;14.62,-8.2,;13.85,-9.53,;12.31,-9.53,;16.16,-8.2,;16.93,-9.53,;18.47,-9.53,;19.24,-8.2,;20.78,-8.2,;21.55,-6.86,;20.78,-5.53,;19.24,-5.53,;18.47,-6.86,;16.93,-6.86,;21.55,-9.53,;20.92,-10.94,;22.07,-11.97,;22.07,-13.51,;23.4,-14.28,;24.73,-13.51,;24.73,-11.97,;23.4,-11.2,;23.08,-9.69,)|
Show InChI InChI=1S/C29H28N2O4/c32-28(33)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-14-25-27(18-23)34-16-15-31(25)29-30-24-3-1-2-4-26(24)35-29/h1-4,9-14,18-20H,5-8,15-17H2,(H,32,33)/t19-,20-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...


ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair