Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020056' 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)) | BDBM50020056
(CHEMBL3287897)Show SMILES CCc1ccccc1NC(=O)N1C[C@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,13.14,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.58,;6.21,-16.33,;7.53,-15.52,;7.49,-13.98,;6.14,-13.26,;6.11,-11.72,;7.42,-10.91,;8.77,-11.65,;7.38,-9.37,;6.03,-8.64,;6,-7.1,;4.65,-6.36,;7.32,-6.29,;8.67,-7.04,;9.98,-6.23,;11.33,-6.98,;11.37,-8.52,;10.06,-9.31,;8.7,-8.58,;12.65,-6.17,;14,-6.92,;15.31,-6.11,;15.27,-4.57,;13.92,-3.84,;12.61,-4.63,;16.59,-3.78,;16.55,-2.23,;17.87,-1.43,;19.22,-2.18,;20.53,-1.37,;21.88,-2.1,;23.19,-1.3,;21.92,-3.64,;19.26,-3.72,;17.94,-4.51,)| 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-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 53 | 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)) | BDBM50020056
(CHEMBL3287897)Show SMILES CCc1ccccc1NC(=O)N1C[C@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,13.14,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.58,;6.21,-16.33,;7.53,-15.52,;7.49,-13.98,;6.14,-13.26,;6.11,-11.72,;7.42,-10.91,;8.77,-11.65,;7.38,-9.37,;6.03,-8.64,;6,-7.1,;4.65,-6.36,;7.32,-6.29,;8.67,-7.04,;9.98,-6.23,;11.33,-6.98,;11.37,-8.52,;10.06,-9.31,;8.7,-8.58,;12.65,-6.17,;14,-6.92,;15.31,-6.11,;15.27,-4.57,;13.92,-3.84,;12.61,-4.63,;16.59,-3.78,;16.55,-2.23,;17.87,-1.43,;19.22,-2.18,;20.53,-1.37,;21.88,-2.1,;23.19,-1.3,;21.92,-3.64,;19.26,-3.72,;17.94,-4.51,)| 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-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 85 | 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 | |