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BDBM50020063 CHEMBL3287886

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

InChI Key: InChIKey=IMWUXYHHIFSDGX-MEMLXQNLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020063   
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))
BDBM50020063
PNG
(CHEMBL3287886)
Show SMILES ONC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:8.11,wD:5.4,(23.03,-4.59,;23.07,-6.13,;21.75,-6.93,;20.4,-6.19,;21.79,-8.47,;20.47,-9.27,;19.12,-8.52,;17.81,-9.32,;17.85,-10.86,;19.2,-11.6,;20.51,-10.8,;16.53,-11.66,;15.18,-10.92,;13.87,-11.72,;13.91,-13.26,;15.26,-14,;16.57,-13.2,;12.59,-14.06,;12.63,-15.6,;11.32,-16.4,;9.96,-15.66,;8.65,-16.46,;7.3,-15.72,;7.26,-14.18,;8.58,-13.38,;9.93,-14.12,;11.24,-13.32,;8.69,-18,;10.03,-18.73,;7.37,-18.8,;7.41,-20.34,;6.09,-21.13,;6.13,-22.67,;7.48,-23.41,;8.8,-22.6,;8.76,-21.07,)|
Show InChI InChI=1S/C29H31N3O4/c33-28(31-35)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)36-17-16-32(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21,35H,6-9,16-18H2,(H,30,34)(H,31,33)/t20-,21-
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Article
PubMed
n/an/a 920n/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 (DGAT1)


(Homo sapiens (Human))
BDBM50020063
PNG
(CHEMBL3287886)
Show SMILES ONC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:8.11,wD:5.4,(23.03,-4.59,;23.07,-6.13,;21.75,-6.93,;20.4,-6.19,;21.79,-8.47,;20.47,-9.27,;19.12,-8.52,;17.81,-9.32,;17.85,-10.86,;19.2,-11.6,;20.51,-10.8,;16.53,-11.66,;15.18,-10.92,;13.87,-11.72,;13.91,-13.26,;15.26,-14,;16.57,-13.2,;12.59,-14.06,;12.63,-15.6,;11.32,-16.4,;9.96,-15.66,;8.65,-16.46,;7.3,-15.72,;7.26,-14.18,;8.58,-13.38,;9.93,-14.12,;11.24,-13.32,;8.69,-18,;10.03,-18.73,;7.37,-18.8,;7.41,-20.34,;6.09,-21.13,;6.13,-22.67,;7.48,-23.41,;8.8,-22.6,;8.76,-21.07,)|
Show InChI InChI=1S/C29H31N3O4/c33-28(31-35)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)36-17-16-32(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21,35H,6-9,16-18H2,(H,30,34)(H,31,33)/t20-,21-
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 300n/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