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SMILES: CS(=O)(=O)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1

InChI Key: InChIKey=PQJJLSFCANBFSI-HZCBDIJESA-N

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

Found 2 hits for monomerid = 50020074   
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


(Mus musculus (mouse))
BDBM50020074
PNG
(CHEMBL3287888)
Show SMILES CS(=O)(=O)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:11.14,wD:8.7,(24.03,-4.14,;22.72,-4.94,;21.23,-5.33,;21.63,-3.84,;22.76,-6.48,;21.44,-7.28,;20.09,-6.54,;21.48,-8.82,;20.17,-9.62,;18.81,-8.88,;17.5,-9.67,;17.54,-11.21,;18.89,-11.95,;20.2,-11.15,;16.22,-12.01,;14.87,-11.27,;13.56,-12.07,;13.6,-13.61,;14.95,-14.35,;16.26,-13.55,;12.28,-14.41,;12.32,-15.95,;11.01,-16.75,;9.65,-16.01,;8.34,-16.81,;6.99,-16.07,;6.95,-14.53,;8.27,-13.73,;9.62,-14.47,;10.93,-13.67,;8.38,-18.35,;9.72,-19.08,;7.06,-19.15,;7.1,-20.69,;5.78,-21.48,;5.82,-23.02,;7.17,-23.76,;8.49,-22.95,;8.45,-21.42,)|
Show InChI InChI=1S/C30H33N3O5S/c1-39(36,37)32-29(34)19-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-16-27-28(20-25)38-18-17-33(27)30(35)31-26-5-3-2-4-6-26/h2-6,11-16,20-22H,7-10,17-19H2,1H3,(H,31,35)(H,32,34)/t21-,22-
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Similars

Article
PubMed
n/an/a 7.30E+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))
BDBM50020074
PNG
(CHEMBL3287888)
Show SMILES CS(=O)(=O)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:11.14,wD:8.7,(24.03,-4.14,;22.72,-4.94,;21.23,-5.33,;21.63,-3.84,;22.76,-6.48,;21.44,-7.28,;20.09,-6.54,;21.48,-8.82,;20.17,-9.62,;18.81,-8.88,;17.5,-9.67,;17.54,-11.21,;18.89,-11.95,;20.2,-11.15,;16.22,-12.01,;14.87,-11.27,;13.56,-12.07,;13.6,-13.61,;14.95,-14.35,;16.26,-13.55,;12.28,-14.41,;12.32,-15.95,;11.01,-16.75,;9.65,-16.01,;8.34,-16.81,;6.99,-16.07,;6.95,-14.53,;8.27,-13.73,;9.62,-14.47,;10.93,-13.67,;8.38,-18.35,;9.72,-19.08,;7.06,-19.15,;7.1,-20.69,;5.78,-21.48,;5.82,-23.02,;7.17,-23.76,;8.49,-22.95,;8.45,-21.42,)|
Show InChI InChI=1S/C30H33N3O5S/c1-39(36,37)32-29(34)19-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-16-27-28(20-25)38-18-17-33(27)30(35)31-26-5-3-2-4-6-26/h2-6,11-16,20-22H,7-10,17-19H2,1H3,(H,31,35)(H,32,34)/t21-,22-
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 3.10E+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