Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020085' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020085
(CHEMBL3287877)Show SMILES CC(C)c1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.62,-16.39,;4.66,-17.93,;3.34,-18.73,;6.01,-18.67,;6.04,-20.21,;7.39,-20.95,;8.71,-20.15,;8.68,-18.61,;7.32,-17.87,;7.29,-16.34,;8.61,-15.53,;9.95,-16.27,;8.57,-13.99,;7.22,-13.25,;7.18,-11.71,;8.5,-10.91,;9.85,-11.65,;11.16,-10.85,;12.52,-11.59,;12.55,-13.13,;11.24,-13.93,;9.88,-13.19,;13.83,-10.79,;13.79,-9.25,;15.11,-8.45,;16.46,-9.19,;16.5,-10.73,;15.18,-11.53,;17.78,-8.39,;17.74,-6.85,;19.06,-6.05,;20.41,-6.79,;21.72,-5.99,;21.69,-4.45,;23,-3.65,;20.33,-3.7,;20.44,-8.33,;19.13,-9.13,)| Show InChI InChI=1S/C32H36N2O4/c1-21(2)27-5-3-4-6-28(27)33-32(37)34-17-18-38-30-20-26(15-16-29(30)34)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-31(35)36/h3-6,11-16,20-23H,7-10,17-19H2,1-2H3,(H,33,37)(H,35,36)/t22-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50020085
(CHEMBL3287877)Show SMILES CC(C)c1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.62,-16.39,;4.66,-17.93,;3.34,-18.73,;6.01,-18.67,;6.04,-20.21,;7.39,-20.95,;8.71,-20.15,;8.68,-18.61,;7.32,-17.87,;7.29,-16.34,;8.61,-15.53,;9.95,-16.27,;8.57,-13.99,;7.22,-13.25,;7.18,-11.71,;8.5,-10.91,;9.85,-11.65,;11.16,-10.85,;12.52,-11.59,;12.55,-13.13,;11.24,-13.93,;9.88,-13.19,;13.83,-10.79,;13.79,-9.25,;15.11,-8.45,;16.46,-9.19,;16.5,-10.73,;15.18,-11.53,;17.78,-8.39,;17.74,-6.85,;19.06,-6.05,;20.41,-6.79,;21.72,-5.99,;21.69,-4.45,;23,-3.65,;20.33,-3.7,;20.44,-8.33,;19.13,-9.13,)| Show InChI InChI=1S/C32H36N2O4/c1-21(2)27-5-3-4-6-28(27)33-32(37)34-17-18-38-30-20-26(15-16-29(30)34)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-31(35)36/h3-6,11-16,20-23H,7-10,17-19H2,1-2H3,(H,33,37)(H,35,36)/t22-,23- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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