Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020055' 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)) | BDBM50020055
(CHEMBL3287896)Show SMILES CCc1ccccc1NC(=O)N1CC(C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.09,-13.01,;4.12,-14.54,;5.46,-15.28,;5.5,-16.82,;6.85,-17.56,;8.16,-16.75,;8.12,-15.21,;6.78,-14.49,;6.74,-12.95,;8.06,-12.14,;9.41,-12.88,;8.02,-10.6,;6.67,-9.87,;6.63,-8.33,;5.28,-7.59,;7.95,-7.52,;9.3,-8.27,;10.62,-7.46,;11.97,-8.21,;12,-9.75,;10.69,-10.54,;9.34,-9.81,;13.28,-7.4,;14.63,-8.15,;15.94,-7.34,;15.91,-5.8,;14.56,-5.07,;13.24,-5.86,;17.22,-5.01,;17.18,-3.47,;18.5,-2.66,;19.85,-3.41,;21.17,-2.6,;22.52,-3.34,;23.82,-2.53,;22.55,-4.87,;19.89,-4.95,;18.58,-5.74,)| Show InChI InChI=1S/C32H36N2O4/c1-3-23-6-4-5-7-28(23)33-32(37)34-20-21(2)38-30-19-27(16-17-29(30)34)26-14-12-25(13-15-26)24-10-8-22(9-11-24)18-31(35)36/h4-7,12-17,19,21-22,24H,3,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t21?,22-,24- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | 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)) | BDBM50020055
(CHEMBL3287896)Show SMILES CCc1ccccc1NC(=O)N1CC(C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.09,-13.01,;4.12,-14.54,;5.46,-15.28,;5.5,-16.82,;6.85,-17.56,;8.16,-16.75,;8.12,-15.21,;6.78,-14.49,;6.74,-12.95,;8.06,-12.14,;9.41,-12.88,;8.02,-10.6,;6.67,-9.87,;6.63,-8.33,;5.28,-7.59,;7.95,-7.52,;9.3,-8.27,;10.62,-7.46,;11.97,-8.21,;12,-9.75,;10.69,-10.54,;9.34,-9.81,;13.28,-7.4,;14.63,-8.15,;15.94,-7.34,;15.91,-5.8,;14.56,-5.07,;13.24,-5.86,;17.22,-5.01,;17.18,-3.47,;18.5,-2.66,;19.85,-3.41,;21.17,-2.6,;22.52,-3.34,;23.82,-2.53,;22.55,-4.87,;19.89,-4.95,;18.58,-5.74,)| Show InChI InChI=1S/C32H36N2O4/c1-3-23-6-4-5-7-28(23)33-32(37)34-20-21(2)38-30-19-27(16-17-29(30)34)26-14-12-25(13-15-26)24-10-8-22(9-11-24)18-31(35)36/h4-7,12-17,19,21-22,24H,3,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t21?,22-,24- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | 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 | |