Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020072' 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)) | BDBM50020072
(CHEMBL3287862)Show SMILES CC1COc2cc(ccc2N1C(=O)Nc1ccccc1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(.8,-5.69,;2.34,-5.69,;3.11,-7.02,;4.65,-7.02,;5.42,-5.69,;6.96,-5.69,;7.73,-4.36,;6.96,-3.02,;5.42,-3.02,;4.65,-4.36,;3.11,-4.36,;2.34,-3.02,;3.11,-1.69,;.8,-3.02,;.03,-1.69,;-1.51,-1.69,;-2.28,-.35,;-1.51,.98,;.03,.98,;.8,-.35,;9.27,-4.36,;10.04,-5.69,;11.58,-5.69,;12.35,-4.36,;11.58,-3.02,;10.04,-3.02,;13.89,-4.36,;14.66,-3.02,;16.2,-3.02,;16.97,-4.36,;18.51,-4.36,;19.28,-5.69,;18.51,-7.02,;20.82,-5.69,;16.2,-5.69,;14.66,-5.69,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-36-28-18-25(15-16-27(28)32(20)30(35)31-26-5-3-2-4-6-26)24-13-11-23(12-14-24)22-9-7-21(8-10-22)17-29(33)34/h2-6,11-16,18,20-22H,7-10,17,19H2,1H3,(H,31,35)(H,33,34)/t20?,21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | 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)) | BDBM50020072
(CHEMBL3287862)Show SMILES CC1COc2cc(ccc2N1C(=O)Nc1ccccc1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(.8,-5.69,;2.34,-5.69,;3.11,-7.02,;4.65,-7.02,;5.42,-5.69,;6.96,-5.69,;7.73,-4.36,;6.96,-3.02,;5.42,-3.02,;4.65,-4.36,;3.11,-4.36,;2.34,-3.02,;3.11,-1.69,;.8,-3.02,;.03,-1.69,;-1.51,-1.69,;-2.28,-.35,;-1.51,.98,;.03,.98,;.8,-.35,;9.27,-4.36,;10.04,-5.69,;11.58,-5.69,;12.35,-4.36,;11.58,-3.02,;10.04,-3.02,;13.89,-4.36,;14.66,-3.02,;16.2,-3.02,;16.97,-4.36,;18.51,-4.36,;19.28,-5.69,;18.51,-7.02,;20.82,-5.69,;16.2,-5.69,;14.66,-5.69,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-36-28-18-25(15-16-27(28)32(20)30(35)31-26-5-3-2-4-6-26)24-13-11-23(12-14-24)22-9-7-21(8-10-22)17-29(33)34/h2-6,11-16,18,20-22H,7-10,17,19H2,1H3,(H,31,35)(H,33,34)/t20?,21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | 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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