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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50020073   
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))
BDBM50020073
PNG
(CHEMBL3287873)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1cc(ccc1F)C(F)(F)F |r,wU:4.3,wD:7.10,(1.78,-14.15,;3.12,-13.38,;3.12,-11.84,;4.45,-14.15,;5.78,-13.38,;5.78,-11.84,;7.12,-11.07,;8.45,-11.84,;8.45,-13.38,;7.12,-14.15,;9.79,-11.07,;9.79,-9.53,;11.12,-8.76,;12.45,-9.53,;12.45,-11.07,;11.12,-11.84,;13.79,-8.76,;15.12,-9.53,;16.45,-8.76,;16.45,-7.22,;17.79,-6.45,;17.79,-4.91,;16.45,-4.14,;15.12,-4.91,;15.12,-6.45,;13.79,-7.22,;19.12,-7.22,;19.12,-8.76,;20.46,-6.45,;21.79,-7.22,;21.79,-8.76,;23.12,-9.53,;24.46,-8.76,;24.46,-7.22,;23.12,-6.45,;23.12,-4.91,;23.12,-11.07,;21.85,-11.97,;24.3,-11.88,;23.12,-12.61,)|
Show InChI InChI=1S/C30H28F4N2O4/c31-24-11-10-23(30(32,33)34)17-25(24)35-29(39)36-13-14-40-27-16-22(9-12-26(27)36)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-28(37)38/h5-12,16-19H,1-4,13-15H2,(H,35,39)(H,37,38)/t18-,19-
PDB

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PC cid
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Similars

Article
PubMed
n/an/a 1.20E+3n/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))
BDBM50020073
PNG
(CHEMBL3287873)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1cc(ccc1F)C(F)(F)F |r,wU:4.3,wD:7.10,(1.78,-14.15,;3.12,-13.38,;3.12,-11.84,;4.45,-14.15,;5.78,-13.38,;5.78,-11.84,;7.12,-11.07,;8.45,-11.84,;8.45,-13.38,;7.12,-14.15,;9.79,-11.07,;9.79,-9.53,;11.12,-8.76,;12.45,-9.53,;12.45,-11.07,;11.12,-11.84,;13.79,-8.76,;15.12,-9.53,;16.45,-8.76,;16.45,-7.22,;17.79,-6.45,;17.79,-4.91,;16.45,-4.14,;15.12,-4.91,;15.12,-6.45,;13.79,-7.22,;19.12,-7.22,;19.12,-8.76,;20.46,-6.45,;21.79,-7.22,;21.79,-8.76,;23.12,-9.53,;24.46,-8.76,;24.46,-7.22,;23.12,-6.45,;23.12,-4.91,;23.12,-11.07,;21.85,-11.97,;24.3,-11.88,;23.12,-12.61,)|
Show InChI InChI=1S/C30H28F4N2O4/c31-24-11-10-23(30(32,33)34)17-25(24)35-29(39)36-13-14-40-27-16-22(9-12-26(27)36)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-28(37)38/h5-12,16-19H,1-4,13-15H2,(H,35,39)(H,37,38)/t18-,19-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/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