Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020048' 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)) | BDBM50020048
(CHEMBL3287876)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1C(F)(F)F |r,wU:4.3,wD:7.10,(23.18,-11.66,;21.64,-11.66,;20.87,-12.99,;20.87,-10.32,;19.33,-10.32,;18.56,-11.66,;17.02,-11.66,;16.25,-10.32,;17.02,-8.99,;18.56,-8.99,;14.71,-10.32,;13.94,-11.66,;12.4,-11.66,;11.63,-10.32,;12.4,-8.99,;13.94,-8.99,;10.09,-10.32,;9.32,-8.99,;7.78,-8.99,;7.01,-10.32,;5.47,-10.32,;4.7,-11.66,;5.47,-12.99,;7.01,-12.99,;7.78,-11.66,;9.32,-11.66,;4.7,-8.99,;5.47,-7.66,;3.16,-8.99,;2.39,-7.66,;3.16,-6.32,;2.39,-4.99,;.85,-4.99,;.08,-6.32,;.85,-7.66,;.08,-8.99,;.61,-10.39,;-.69,-10.32,;-1.52,-9.56,)| Show InChI InChI=1S/C30H29F3N2O4/c31-30(32,33)24-3-1-2-4-25(24)34-29(38)35-15-16-39-27-18-23(13-14-26(27)35)22-11-9-21(10-12-22)20-7-5-19(6-8-20)17-28(36)37/h1-4,9-14,18-20H,5-8,15-17H2,(H,34,38)(H,36,37)/t19-,20- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | 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)) | BDBM50020048
(CHEMBL3287876)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1C(F)(F)F |r,wU:4.3,wD:7.10,(23.18,-11.66,;21.64,-11.66,;20.87,-12.99,;20.87,-10.32,;19.33,-10.32,;18.56,-11.66,;17.02,-11.66,;16.25,-10.32,;17.02,-8.99,;18.56,-8.99,;14.71,-10.32,;13.94,-11.66,;12.4,-11.66,;11.63,-10.32,;12.4,-8.99,;13.94,-8.99,;10.09,-10.32,;9.32,-8.99,;7.78,-8.99,;7.01,-10.32,;5.47,-10.32,;4.7,-11.66,;5.47,-12.99,;7.01,-12.99,;7.78,-11.66,;9.32,-11.66,;4.7,-8.99,;5.47,-7.66,;3.16,-8.99,;2.39,-7.66,;3.16,-6.32,;2.39,-4.99,;.85,-4.99,;.08,-6.32,;.85,-7.66,;.08,-8.99,;.61,-10.39,;-.69,-10.32,;-1.52,-9.56,)| Show InChI InChI=1S/C30H29F3N2O4/c31-30(32,33)24-3-1-2-4-25(24)34-29(38)35-15-16-39-27-18-23(13-14-26(27)35)22-11-9-21(10-12-22)20-7-5-19(6-8-20)17-28(36)37/h1-4,9-14,18-20H,5-8,15-17H2,(H,34,38)(H,36,37)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | 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 | |