Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50117149' 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
(Homo sapiens (Human)) | BDBM50117149
(CHEMBL3613349)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:5:39:8.7.9,6:7:4.5.38:39,THB:9:7:4:38.37.39,9:37:4:8.6.7,10:9:4.5.38:39,(3.59,2.27,;3.07,1.15,;3.78,.15,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.1,1.13,;-10.07,.37,;-9.32,2.66,;-10.75,3.24,;-10.96,4.76,;-12.39,5.34,;-12.61,6.87,;-11.63,7.62,;-14.03,7.44,;-14.25,8.97,;-15.68,9.54,;-16.89,8.59,;-16.67,7.07,;-15.25,6.49,;-18.32,9.17,;-18.54,10.69,;-19.97,11.26,;-21.18,10.31,;-20.96,8.79,;-19.53,8.21,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)/t21?,26?,27?,29-,33- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid sc... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50117149
(CHEMBL3613349)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:5:39:8.7.9,6:7:4.5.38:39,THB:9:7:4:38.37.39,9:37:4:8.6.7,10:9:4.5.38:39,(3.59,2.27,;3.07,1.15,;3.78,.15,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.1,1.13,;-10.07,.37,;-9.32,2.66,;-10.75,3.24,;-10.96,4.76,;-12.39,5.34,;-12.61,6.87,;-11.63,7.62,;-14.03,7.44,;-14.25,8.97,;-15.68,9.54,;-16.89,8.59,;-16.67,7.07,;-15.25,6.49,;-18.32,9.17,;-18.54,10.69,;-19.97,11.26,;-21.18,10.31,;-20.96,8.79,;-19.53,8.21,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)/t21?,26?,27?,29-,33- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
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