Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50044535 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
(Mus musculus (mouse)) | BDBM50020045
(CHEMBL3287865)Show SMILES C[C@@H]1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,1.0,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)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-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | 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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020046
(CHEMBL3287878)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F |r,wU:4.3,wD:7.10,(21.59,-12.75,;22.36,-11.41,;23.9,-11.41,;21.59,-10.08,;20.05,-10.08,;19.28,-11.41,;17.74,-11.41,;16.97,-10.08,;17.74,-8.74,;19.28,-8.74,;15.43,-10.08,;14.66,-11.41,;13.12,-11.41,;12.35,-10.08,;13.12,-8.74,;14.66,-8.74,;10.81,-10.08,;10.04,-8.74,;8.5,-8.74,;7.73,-10.08,;6.19,-10.08,;5.42,-11.41,;6.19,-12.75,;7.73,-12.75,;8.5,-11.41,;10.04,-11.41,;5.42,-8.74,;6.19,-7.41,;3.88,-8.74,;3.11,-7.41,;3.88,-6.08,;3.11,-4.74,;1.57,-4.74,;.8,-3.41,;.8,-6.08,;1.57,-7.41,;.8,-8.74,;-.62,-8.96,;1.42,-10.14,;.03,-10.08,)| Show InChI InChI=1S/C30H28F4N2O4/c31-23-10-11-25(24(17-23)30(32,33)34)35-29(39)36-13-14-40-27-16-22(9-12-26(27)36)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-28(37)38/h5-12,16-19H,1-4,13-15H2,(H,35,39)(H,37,38)/t18-,19- | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020049
(CHEMBL3287884)Show SMILES CCCCCCCNC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.28,wD:29.32,(3.09,-11.07,;4.44,-11.81,;4.46,-13.35,;5.81,-14.1,;7.12,-13.31,;7.1,-11.77,;5.74,-11.03,;5.71,-9.5,;7.03,-8.7,;8.37,-9.43,;6.99,-7.16,;5.64,-6.41,;5.6,-4.87,;6.91,-4.07,;8.27,-4.81,;9.58,-4.01,;10.93,-4.75,;10.97,-6.3,;9.66,-7.1,;8.3,-6.36,;12.25,-3.95,;12.21,-2.41,;13.53,-1.61,;14.88,-2.35,;14.92,-3.89,;13.6,-4.7,;16.19,-1.55,;16.16,-.01,;17.47,.8,;18.83,.06,;20.14,.86,;20.1,2.4,;21.42,3.2,;18.75,3.14,;18.86,-1.49,;17.55,-2.29,)| Show InChI InChI=1S/C30H40N2O4/c1-2-3-4-5-6-17-31-30(35)32-18-19-36-28-21-26(15-16-27(28)32)25-13-11-24(12-14-25)23-9-7-22(8-10-23)20-29(33)34/h11-16,21-23H,2-10,17-20H2,1H3,(H,31,35)(H,33,34)/t22-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | 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)) | BDBM50020049
(CHEMBL3287884)Show SMILES CCCCCCCNC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.28,wD:29.32,(3.09,-11.07,;4.44,-11.81,;4.46,-13.35,;5.81,-14.1,;7.12,-13.31,;7.1,-11.77,;5.74,-11.03,;5.71,-9.5,;7.03,-8.7,;8.37,-9.43,;6.99,-7.16,;5.64,-6.41,;5.6,-4.87,;6.91,-4.07,;8.27,-4.81,;9.58,-4.01,;10.93,-4.75,;10.97,-6.3,;9.66,-7.1,;8.3,-6.36,;12.25,-3.95,;12.21,-2.41,;13.53,-1.61,;14.88,-2.35,;14.92,-3.89,;13.6,-4.7,;16.19,-1.55,;16.16,-.01,;17.47,.8,;18.83,.06,;20.14,.86,;20.1,2.4,;21.42,3.2,;18.75,3.14,;18.86,-1.49,;17.55,-2.29,)| Show InChI InChI=1S/C30H40N2O4/c1-2-3-4-5-6-17-31-30(35)32-18-19-36-28-21-26(15-16-27(28)32)25-13-11-24(12-14-25)23-9-7-22(8-10-23)20-29(33)34/h11-16,21-23H,2-10,17-20H2,1H3,(H,31,35)(H,33,34)/t22-,23- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | 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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020050
(CHEMBL3287875)Show SMILES CCc1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:30.34,wD:27.30,(.52,-9.03,;2.06,-9.03,;2.83,-7.69,;2.06,-6.36,;2.83,-5.03,;4.37,-5.03,;5.14,-6.36,;4.37,-7.69,;5.14,-9.03,;6.68,-9.03,;7.45,-7.69,;7.45,-10.36,;6.68,-11.7,;7.45,-13.03,;8.99,-13.03,;9.76,-11.7,;11.3,-11.7,;12.07,-10.36,;11.3,-9.03,;9.76,-9.03,;8.99,-10.36,;13.61,-10.36,;14.38,-11.7,;15.92,-11.7,;16.69,-10.36,;15.92,-9.03,;14.38,-9.03,;18.23,-10.36,;19,-11.7,;20.54,-11.7,;21.31,-10.36,;22.85,-10.36,;23.62,-11.7,;25.16,-11.7,;22.85,-13.03,;20.54,-9.03,;19,-9.03,)| Show InChI InChI=1S/C31H34N2O4/c1-2-22-5-3-4-6-27(22)32-31(36)33-17-18-37-29-20-26(15-16-28(29)33)25-13-11-24(12-14-25)23-9-7-21(8-10-23)19-30(34)35/h3-6,11-16,20-21,23H,2,7-10,17-19H2,1H3,(H,32,36)(H,34,35)/t21-,23- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020047
(CHEMBL3287864)Show SMILES CC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)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 | 33 | 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
(Mus musculus (mouse)) | BDBM50020051
(CHEMBL3287874)Show SMILES CCOc1ccc(NC(=O)N2CCOc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1 |r,wU:29.32,wD:26.28,(-1.18,-9.52,;.15,-10.29,;1.49,-9.52,;2.82,-10.29,;2.82,-11.83,;4.16,-12.6,;5.49,-11.83,;6.82,-12.6,;8.16,-11.83,;8.16,-10.29,;9.49,-12.6,;9.49,-14.14,;10.82,-14.91,;12.16,-14.14,;12.16,-12.6,;13.49,-11.83,;13.49,-10.29,;12.16,-9.52,;10.82,-10.29,;10.82,-11.83,;14.82,-9.52,;16.16,-10.29,;17.49,-9.52,;17.49,-7.98,;16.16,-7.21,;14.82,-7.98,;18.83,-7.21,;20.16,-7.98,;21.49,-7.21,;21.49,-5.67,;22.83,-4.9,;24.16,-5.67,;25.49,-4.9,;24.16,-7.21,;20.16,-4.9,;18.83,-5.67,;5.49,-10.29,;4.16,-9.52,)| Show InChI InChI=1S/C31H34N2O5/c1-2-37-27-14-12-26(13-15-27)32-31(36)33-17-18-38-29-20-25(11-16-28(29)33)24-9-7-23(8-10-24)22-5-3-21(4-6-22)19-30(34)35/h7-16,20-22H,2-6,17-19H2,1H3,(H,32,36)(H,34,35)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | 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
(Mus musculus (mouse)) | BDBM50020046
(CHEMBL3287878)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F |r,wU:4.3,wD:7.10,(21.59,-12.75,;22.36,-11.41,;23.9,-11.41,;21.59,-10.08,;20.05,-10.08,;19.28,-11.41,;17.74,-11.41,;16.97,-10.08,;17.74,-8.74,;19.28,-8.74,;15.43,-10.08,;14.66,-11.41,;13.12,-11.41,;12.35,-10.08,;13.12,-8.74,;14.66,-8.74,;10.81,-10.08,;10.04,-8.74,;8.5,-8.74,;7.73,-10.08,;6.19,-10.08,;5.42,-11.41,;6.19,-12.75,;7.73,-12.75,;8.5,-11.41,;10.04,-11.41,;5.42,-8.74,;6.19,-7.41,;3.88,-8.74,;3.11,-7.41,;3.88,-6.08,;3.11,-4.74,;1.57,-4.74,;.8,-3.41,;.8,-6.08,;1.57,-7.41,;.8,-8.74,;-.62,-8.96,;1.42,-10.14,;.03,-10.08,)| Show InChI InChI=1S/C30H28F4N2O4/c31-23-10-11-25(24(17-23)30(32,33)34)35-29(39)36-13-14-40-27-16-22(9-12-26(27)36)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-28(37)38/h5-12,16-19H,1-4,13-15H2,(H,35,39)(H,37,38)/t18-,19- | PDB
Reactome pathway
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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
(Mus musculus (mouse)) | BDBM50020052
(CHEMBL3287882)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)NCCCCc1ccccc1 |r,wU:7.10,wD:4.3,(22.51,3.03,;21.2,2.23,;19.85,2.96,;21.24,.69,;19.92,-.12,;18.57,.63,;17.25,-.18,;17.29,-1.72,;18.64,-2.46,;19.96,-1.66,;15.98,-2.52,;14.63,-1.78,;13.31,-2.58,;13.35,-4.12,;14.7,-4.86,;16.01,-4.06,;12.03,-4.92,;12.07,-6.46,;10.76,-7.26,;9.4,-6.52,;8.09,-7.32,;6.74,-6.58,;6.7,-5.04,;8.02,-4.24,;9.37,-4.98,;10.68,-4.18,;8.13,-8.86,;9.47,-9.6,;6.81,-9.66,;6.84,-11.2,;5.53,-12,;5.58,-13.53,;4.27,-14.34,;4.31,-15.87,;3,-16.68,;3.05,-18.22,;4.4,-18.95,;5.72,-18.13,;5.67,-16.6,)| Show InChI InChI=1S/C33H38N2O4/c36-32(37)22-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-18-30-31(23-29)39-21-20-35(30)33(38)34-19-5-4-8-24-6-2-1-3-7-24/h1-3,6-7,13-18,23,25-26H,4-5,8-12,19-22H2,(H,34,38)(H,36,37)/t25-,26- | PDB
Reactome pathway
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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)) | BDBM50385398
(CHEMBL2036730)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020050
(CHEMBL3287875)Show SMILES CCc1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:30.34,wD:27.30,(.52,-9.03,;2.06,-9.03,;2.83,-7.69,;2.06,-6.36,;2.83,-5.03,;4.37,-5.03,;5.14,-6.36,;4.37,-7.69,;5.14,-9.03,;6.68,-9.03,;7.45,-7.69,;7.45,-10.36,;6.68,-11.7,;7.45,-13.03,;8.99,-13.03,;9.76,-11.7,;11.3,-11.7,;12.07,-10.36,;11.3,-9.03,;9.76,-9.03,;8.99,-10.36,;13.61,-10.36,;14.38,-11.7,;15.92,-11.7,;16.69,-10.36,;15.92,-9.03,;14.38,-9.03,;18.23,-10.36,;19,-11.7,;20.54,-11.7,;21.31,-10.36,;22.85,-10.36,;23.62,-11.7,;25.16,-11.7,;22.85,-13.03,;20.54,-9.03,;19,-9.03,)| Show InChI InChI=1S/C31H34N2O4/c1-2-22-5-3-4-6-27(22)32-31(36)33-17-18-37-29-20-26(15-16-28(29)33)25-13-11-24(12-14-25)23-9-7-21(8-10-23)19-30(34)35/h3-6,11-16,20-21,23H,2,7-10,17-19H2,1H3,(H,32,36)(H,34,35)/t21-,23- | PDB
Reactome pathway
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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)) | BDBM50009391
(CHEMBL3233872)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(65.24,-4.33,;65.41,-2.8,;66.81,-2.18,;64.16,-1.9,;62.75,-2.52,;61.51,-1.61,;60.09,-2.24,;59.94,-3.76,;61.19,-4.67,;62.59,-4.05,;58.53,-4.39,;58.37,-5.92,;56.96,-6.55,;55.72,-5.64,;55.88,-4.12,;57.28,-3.49,;54.31,-6.26,;53.07,-5.35,;51.66,-5.98,;51.5,-7.51,;50.25,-8.42,;50.73,-9.89,;52.28,-9.89,;52.75,-8.42,;54.15,-7.79,;48.79,-7.95,;48.46,-6.44,;47.64,-8.98,;46.18,-8.51,;45.86,-7,;44.4,-6.53,;43.25,-7.56,;43.58,-9.07,;45.04,-9.54,)| Show InChI InChI=1S/C29H28N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-17,19-21H,6-9,18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009432
(CHEMBL3233884)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(49.67,-49.46,;49.66,-47.92,;50.99,-47.14,;48.32,-47.16,;46.99,-47.94,;45.65,-47.18,;44.32,-47.96,;44.34,-49.5,;45.68,-50.26,;47,-49.48,;43.01,-50.28,;43.03,-51.82,;41.7,-52.6,;40.36,-51.84,;40.34,-50.31,;41.66,-49.52,;39.03,-52.62,;37.69,-51.86,;36.36,-52.63,;36.39,-54.19,;35.07,-54.96,;35.08,-56.5,;36.42,-57.26,;37.75,-56.48,;37.73,-54.94,;39.05,-54.15,;33.73,-54.2,;33.72,-52.66,;32.4,-54.98,;31.06,-54.22,;31.05,-52.69,;29.71,-51.93,;28.38,-52.71,;28.4,-54.26,;29.74,-55.01,)| Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
Reactome pathway
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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)) | BDBM50020045
(CHEMBL3287865)Show SMILES C[C@@H]1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,1.0,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)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-/m1/s1 | PDB
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| n/a | n/a | 43 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020044
(CHEMBL3287898)Show SMILES CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,13.14,wD:31.35,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.59,;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-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 44 | 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
(Mus musculus (mouse)) | BDBM50020054
(CHEMBL3287890)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,4.3,(19.8,-5.61,;18.48,-6.41,;17.13,-5.67,;18.52,-7.95,;17.21,-8.75,;17.24,-10.29,;15.93,-11.08,;14.58,-10.34,;14.54,-8.8,;15.86,-8.01,;13.26,-11.14,;11.91,-10.4,;10.6,-11.2,;10.64,-12.74,;11.99,-13.48,;13.3,-12.68,;9.32,-13.54,;9.36,-15.08,;8.05,-15.88,;6.7,-15.14,;5.38,-15.94,;4.03,-15.2,;3.99,-13.66,;5.31,-12.86,;6.66,-13.6,;7.97,-12.8,;5.42,-17.48,;6.76,-18.21,;4.1,-18.28,;4.14,-19.82,;2.82,-20.61,;2.86,-22.15,;4.21,-22.89,;5.53,-22.08,;5.49,-20.55,)| Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21+ | PDB
Reactome pathway
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| n/a | n/a | 45 | 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
(Mus musculus (mouse)) | BDBM50020053
(CHEMBL3287867)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.30,wD:30.34,(2.93,-11.98,;4.47,-11.98,;5.24,-10.65,;4.47,-9.32,;5.24,-7.98,;4.47,-6.65,;5.24,-5.31,;2.93,-6.65,;2.16,-5.31,;.62,-5.31,;-.15,-3.98,;.62,-2.65,;2.16,-2.65,;2.93,-3.98,;6.78,-7.98,;7.55,-6.65,;9.09,-6.65,;9.86,-7.98,;9.09,-9.32,;7.55,-9.32,;6.78,-10.65,;11.4,-7.98,;12.17,-9.32,;13.71,-9.32,;14.48,-7.98,;13.71,-6.65,;12.17,-6.65,;16.02,-7.98,;16.79,-6.65,;18.33,-6.65,;19.1,-7.98,;20.64,-7.98,;21.41,-9.32,;22.95,-9.32,;20.64,-10.65,;18.33,-9.32,;16.79,-9.32,)| Show InChI InChI=1S/C31H34N2O4/c1-2-27-20-33(31(36)32-26-6-4-3-5-7-26)28-17-16-25(19-29(28)37-27)24-14-12-23(13-15-24)22-10-8-21(9-11-22)18-30(34)35/h3-7,12-17,19,21-22,27H,2,8-11,18,20H2,1H3,(H,32,36)(H,34,35)/t21-,22-,27? | PDB
Reactome pathway
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| n/a | n/a | 45 | 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
(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)) | BDBM50020054
(CHEMBL3287890)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,4.3,(19.8,-5.61,;18.48,-6.41,;17.13,-5.67,;18.52,-7.95,;17.21,-8.75,;17.24,-10.29,;15.93,-11.08,;14.58,-10.34,;14.54,-8.8,;15.86,-8.01,;13.26,-11.14,;11.91,-10.4,;10.6,-11.2,;10.64,-12.74,;11.99,-13.48,;13.3,-12.68,;9.32,-13.54,;9.36,-15.08,;8.05,-15.88,;6.7,-15.14,;5.38,-15.94,;4.03,-15.2,;3.99,-13.66,;5.31,-12.86,;6.66,-13.6,;7.97,-12.8,;5.42,-17.48,;6.76,-18.21,;4.1,-18.28,;4.14,-19.82,;2.82,-20.61,;2.86,-22.15,;4.21,-22.89,;5.53,-22.08,;5.49,-20.55,)| Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | 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 | |
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)) | BDBM50020044
(CHEMBL3287898)Show SMILES CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,13.14,wD:31.35,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.59,;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-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | 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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009432
(CHEMBL3233884)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(49.67,-49.46,;49.66,-47.92,;50.99,-47.14,;48.32,-47.16,;46.99,-47.94,;45.65,-47.18,;44.32,-47.96,;44.34,-49.5,;45.68,-50.26,;47,-49.48,;43.01,-50.28,;43.03,-51.82,;41.7,-52.6,;40.36,-51.84,;40.34,-50.31,;41.66,-49.52,;39.03,-52.62,;37.69,-51.86,;36.36,-52.63,;36.39,-54.19,;35.07,-54.96,;35.08,-56.5,;36.42,-57.26,;37.75,-56.48,;37.73,-54.94,;39.05,-54.15,;33.73,-54.2,;33.72,-52.66,;32.4,-54.98,;31.06,-54.22,;31.05,-52.69,;29.71,-51.93,;28.38,-52.71,;28.4,-54.26,;29.74,-55.01,)| Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | 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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020051
(CHEMBL3287874)Show SMILES CCOc1ccc(NC(=O)N2CCOc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1 |r,wU:29.32,wD:26.28,(-1.18,-9.52,;.15,-10.29,;1.49,-9.52,;2.82,-10.29,;2.82,-11.83,;4.16,-12.6,;5.49,-11.83,;6.82,-12.6,;8.16,-11.83,;8.16,-10.29,;9.49,-12.6,;9.49,-14.14,;10.82,-14.91,;12.16,-14.14,;12.16,-12.6,;13.49,-11.83,;13.49,-10.29,;12.16,-9.52,;10.82,-10.29,;10.82,-11.83,;14.82,-9.52,;16.16,-10.29,;17.49,-9.52,;17.49,-7.98,;16.16,-7.21,;14.82,-7.98,;18.83,-7.21,;20.16,-7.98,;21.49,-7.21,;21.49,-5.67,;22.83,-4.9,;24.16,-5.67,;25.49,-4.9,;24.16,-7.21,;20.16,-4.9,;18.83,-5.67,;5.49,-10.29,;4.16,-9.52,)| Show InChI InChI=1S/C31H34N2O5/c1-2-37-27-14-12-26(13-15-27)32-31(36)33-17-18-38-29-20-25(11-16-28(29)33)24-9-7-23(8-10-24)22-5-3-21(4-6-22)19-30(34)35/h7-16,20-22H,2-6,17-19H2,1H3,(H,32,36)(H,34,35)/t21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020085
(CHEMBL3287877)Show SMILES CC(C)c1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.62,-16.39,;4.66,-17.93,;3.34,-18.73,;6.01,-18.67,;6.04,-20.21,;7.39,-20.95,;8.71,-20.15,;8.68,-18.61,;7.32,-17.87,;7.29,-16.34,;8.61,-15.53,;9.95,-16.27,;8.57,-13.99,;7.22,-13.25,;7.18,-11.71,;8.5,-10.91,;9.85,-11.65,;11.16,-10.85,;12.52,-11.59,;12.55,-13.13,;11.24,-13.93,;9.88,-13.19,;13.83,-10.79,;13.79,-9.25,;15.11,-8.45,;16.46,-9.19,;16.5,-10.73,;15.18,-11.53,;17.78,-8.39,;17.74,-6.85,;19.06,-6.05,;20.41,-6.79,;21.72,-5.99,;21.69,-4.45,;23,-3.65,;20.33,-3.7,;20.44,-8.33,;19.13,-9.13,)| Show InChI InChI=1S/C32H36N2O4/c1-21(2)27-5-3-4-6-28(27)33-32(37)34-17-18-38-30-20-26(15-16-29(30)34)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-31(35)36/h3-6,11-16,20-23H,7-10,17-19H2,1-2H3,(H,33,37)(H,35,36)/t22-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 69 | 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
(Mus musculus (mouse)) | BDBM113719
(US8637507, C-3)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H29N3O5/c1-4-21-16-30(26(33)29-20-8-6-5-7-9-20)22-12-10-18(14-23(22)35-21)19-11-13-24(28-15-19)34-17-27(2,3)25(31)32/h5-15,21H,4,16-17H2,1-3H3,(H,29,33)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020067
(CHEMBL3287892)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC2(CC2)C(O)=O)nc1 Show InChI InChI=1S/C27H27N3O5/c1-2-21-16-30(26(33)29-20-6-4-3-5-7-20)22-10-8-18(14-23(22)35-21)19-9-11-24(28-15-19)34-17-27(12-13-27)25(31)32/h3-11,14-15,21H,2,12-13,16-17H2,1H3,(H,29,33)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | 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)) | BDBM50020052
(CHEMBL3287882)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)NCCCCc1ccccc1 |r,wU:7.10,wD:4.3,(22.51,3.03,;21.2,2.23,;19.85,2.96,;21.24,.69,;19.92,-.12,;18.57,.63,;17.25,-.18,;17.29,-1.72,;18.64,-2.46,;19.96,-1.66,;15.98,-2.52,;14.63,-1.78,;13.31,-2.58,;13.35,-4.12,;14.7,-4.86,;16.01,-4.06,;12.03,-4.92,;12.07,-6.46,;10.76,-7.26,;9.4,-6.52,;8.09,-7.32,;6.74,-6.58,;6.7,-5.04,;8.02,-4.24,;9.37,-4.98,;10.68,-4.18,;8.13,-8.86,;9.47,-9.6,;6.81,-9.66,;6.84,-11.2,;5.53,-12,;5.58,-13.53,;4.27,-14.34,;4.31,-15.87,;3,-16.68,;3.05,-18.22,;4.4,-18.95,;5.72,-18.13,;5.67,-16.6,)| Show InChI InChI=1S/C33H38N2O4/c36-32(37)22-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-18-30-31(23-29)39-21-20-35(30)33(38)34-19-5-4-8-24-6-2-1-3-7-24/h1-3,6-7,13-18,23,25-26H,4-5,8-12,19-22H2,(H,34,38)(H,36,37)/t25-,26- | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020047
(CHEMBL3287864)Show SMILES CC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)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
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM113719
(US8637507, C-3)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H29N3O5/c1-4-21-16-30(26(33)29-20-8-6-5-7-9-20)22-12-10-18(14-23(22)35-21)19-11-13-24(28-15-19)34-17-27(2,3)25(31)32/h5-15,21H,4,16-17H2,1-3H3,(H,29,33)(H,31,32) | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020062
(CHEMBL3287893)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC2(CCC2)C(O)=O)nc1 Show InChI InChI=1S/C28H29N3O5/c1-2-22-17-31(27(34)30-21-7-4-3-5-8-21)23-11-9-19(15-24(23)36-22)20-10-12-25(29-16-20)35-18-28(26(32)33)13-6-14-28/h3-5,7-12,15-16,22H,2,6,13-14,17-18H2,1H3,(H,30,34)(H,32,33) | PDB
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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
(Mus musculus (mouse)) | BDBM50020070
(CHEMBL3287881)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)NCc1ccccc1 |r,wU:7.10,wD:4.3,(20.88,.99,;19.56,.19,;18.21,.93,;19.6,-1.36,;18.29,-2.16,;16.93,-1.42,;15.62,-2.22,;15.66,-3.76,;17.01,-4.5,;18.32,-3.7,;14.34,-4.56,;12.99,-3.82,;11.68,-4.62,;11.71,-6.16,;13.06,-6.9,;14.38,-6.1,;10.4,-6.96,;10.44,-8.5,;9.12,-9.3,;7.77,-8.56,;6.46,-9.36,;5.1,-8.62,;5.07,-7.08,;6.38,-6.28,;7.73,-7.02,;9.05,-6.22,;6.49,-10.9,;7.84,-11.63,;5.18,-11.7,;5.21,-13.23,;3.9,-14.03,;2.55,-13.29,;1.24,-14.09,;1.28,-15.63,;2.63,-16.36,;3.94,-15.56,)| Show InChI InChI=1S/C30H32N2O4/c33-29(34)18-21-6-8-23(9-7-21)24-10-12-25(13-11-24)26-14-15-27-28(19-26)36-17-16-32(27)30(35)31-20-22-4-2-1-3-5-22/h1-5,10-15,19,21,23H,6-9,16-18,20H2,(H,31,35)(H,33,34)/t21-,23- | PDB
Reactome pathway
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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
(Mus musculus (mouse)) | BDBM50020069
(CHEMBL3287869)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Cc1ccccc1 |r,wU:7.10,wD:4.3,(22.61,-2.81,;21.3,-3.62,;21.35,-5.16,;19.94,-2.9,;18.64,-3.71,;17.28,-2.99,;15.97,-3.81,;16.02,-5.34,;17.38,-6.07,;18.69,-5.25,;14.72,-6.16,;13.35,-5.43,;12.05,-6.24,;12.1,-7.78,;13.46,-8.51,;14.76,-7.7,;10.79,-8.6,;10.85,-10.14,;9.54,-10.95,;8.18,-10.23,;6.86,-11.05,;5.5,-10.31,;5.46,-8.76,;6.78,-7.95,;8.13,-8.69,;9.44,-7.87,;6.91,-12.58,;8.26,-13.31,;5.6,-13.39,;5.65,-14.92,;4.34,-15.71,;4.39,-17.25,;5.74,-17.98,;7.05,-17.16,;6.99,-15.63,)| Show InChI InChI=1S/C30H31NO4/c32-29(18-21-4-2-1-3-5-21)31-16-17-35-28-20-26(14-15-27(28)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)19-30(33)34/h1-5,10-15,20,22-23H,6-9,16-19H2,(H,33,34)/t22-,23- | PDB
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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
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020053
(CHEMBL3287867)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.30,wD:30.34,(2.93,-11.98,;4.47,-11.98,;5.24,-10.65,;4.47,-9.32,;5.24,-7.98,;4.47,-6.65,;5.24,-5.31,;2.93,-6.65,;2.16,-5.31,;.62,-5.31,;-.15,-3.98,;.62,-2.65,;2.16,-2.65,;2.93,-3.98,;6.78,-7.98,;7.55,-6.65,;9.09,-6.65,;9.86,-7.98,;9.09,-9.32,;7.55,-9.32,;6.78,-10.65,;11.4,-7.98,;12.17,-9.32,;13.71,-9.32,;14.48,-7.98,;13.71,-6.65,;12.17,-6.65,;16.02,-7.98,;16.79,-6.65,;18.33,-6.65,;19.1,-7.98,;20.64,-7.98,;21.41,-9.32,;22.95,-9.32,;20.64,-10.65,;18.33,-9.32,;16.79,-9.32,)| Show InChI InChI=1S/C31H34N2O4/c1-2-27-20-33(31(36)32-26-6-4-3-5-7-26)28-17-16-25(19-29(28)37-27)24-14-12-23(13-15-24)22-10-8-21(9-11-22)18-30(34)35/h3-7,12-17,19,21-22,27H,2,8-11,18,20H2,1H3,(H,32,36)(H,34,35)/t21-,22-,27? | PDB
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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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020085
(CHEMBL3287877)Show SMILES CC(C)c1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,wD:31.35,(4.62,-16.39,;4.66,-17.93,;3.34,-18.73,;6.01,-18.67,;6.04,-20.21,;7.39,-20.95,;8.71,-20.15,;8.68,-18.61,;7.32,-17.87,;7.29,-16.34,;8.61,-15.53,;9.95,-16.27,;8.57,-13.99,;7.22,-13.25,;7.18,-11.71,;8.5,-10.91,;9.85,-11.65,;11.16,-10.85,;12.52,-11.59,;12.55,-13.13,;11.24,-13.93,;9.88,-13.19,;13.83,-10.79,;13.79,-9.25,;15.11,-8.45,;16.46,-9.19,;16.5,-10.73,;15.18,-11.53,;17.78,-8.39,;17.74,-6.85,;19.06,-6.05,;20.41,-6.79,;21.72,-5.99,;21.69,-4.45,;23,-3.65,;20.33,-3.7,;20.44,-8.33,;19.13,-9.13,)| Show InChI InChI=1S/C32H36N2O4/c1-21(2)27-5-3-4-6-28(27)33-32(37)34-17-18-38-30-20-26(15-16-29(30)34)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-31(35)36/h3-6,11-16,20-23H,7-10,17-19H2,1-2H3,(H,33,37)(H,35,36)/t22-,23- | PDB
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| n/a | n/a | 140 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020057
(CHEMBL3287868)Show SMILES CCCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.35,wD:28.31,(21.83,-1.51,;21.06,-2.85,;19.52,-2.85,;18.75,-4.18,;19.52,-5.51,;18.75,-6.85,;19.52,-8.18,;18.75,-9.51,;21.06,-8.18,;21.83,-9.51,;23.37,-9.51,;24.14,-10.85,;23.37,-12.18,;21.83,-12.18,;21.06,-10.85,;17.21,-6.85,;16.44,-8.18,;14.9,-8.18,;14.13,-6.85,;14.9,-5.51,;16.44,-5.51,;17.21,-4.18,;12.59,-6.85,;11.82,-5.51,;10.28,-5.51,;9.51,-6.85,;10.28,-8.18,;11.82,-8.18,;7.97,-6.85,;7.2,-5.51,;5.66,-5.51,;4.89,-6.85,;3.35,-6.85,;2.58,-5.51,;1.04,-5.51,;3.35,-4.18,;5.66,-8.18,;7.2,-8.18,)| Show InChI InChI=1S/C32H36N2O4/c1-2-6-28-21-34(32(37)33-27-7-4-3-5-8-27)29-18-17-26(20-30(29)38-28)25-15-13-24(14-16-25)23-11-9-22(10-12-23)19-31(35)36/h3-5,7-8,13-18,20,22-23,28H,2,6,9-12,19,21H2,1H3,(H,33,37)(H,35,36)/t22-,23-,28? | PDB
Reactome pathway
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| n/a | n/a | 160 | 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
(Mus musculus (mouse)) | BDBM50020058
(CHEMBL3287883)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)NC1CCCCC1 |r,wU:7.10,wD:4.3,(22.51,3.03,;21.2,2.23,;19.84,2.96,;21.23,.69,;19.92,-.12,;18.57,.63,;17.25,-.18,;17.29,-1.72,;18.64,-2.46,;19.95,-1.66,;15.97,-2.52,;14.62,-1.78,;13.31,-2.58,;13.35,-4.12,;14.7,-4.86,;16.01,-4.06,;12.03,-4.92,;12.07,-6.46,;10.75,-7.26,;9.4,-6.52,;8.09,-7.32,;6.74,-6.58,;6.7,-5.04,;8.01,-4.24,;9.37,-4.98,;10.68,-4.18,;8.12,-8.86,;9.47,-9.6,;6.81,-9.66,;6.84,-11.2,;5.54,-11.99,;5.56,-13.52,;6.91,-14.26,;8.22,-13.47,;8.19,-11.93,)| Show InChI InChI=1S/C29H36N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h10-15,19-21,25H,1-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 160 | 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
(Mus musculus (mouse)) | BDBM50020059
(CHEMBL3287887)Show SMILES O=C(Nc1ccccc1)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:25.28,wD:28.32,(8.34,-16.89,;6.99,-16.15,;5.67,-16.95,;5.71,-18.49,;4.39,-19.28,;4.43,-20.82,;5.78,-21.56,;7.1,-20.75,;7.05,-19.22,;6.95,-14.61,;5.6,-13.87,;5.56,-12.33,;6.88,-11.53,;8.23,-12.27,;9.55,-11.47,;10.9,-12.21,;10.93,-13.75,;9.62,-14.55,;8.27,-13.81,;12.21,-11.41,;13.56,-12.15,;14.87,-11.35,;14.84,-9.81,;13.49,-9.07,;12.17,-9.87,;16.15,-9.01,;16.11,-7.47,;17.43,-6.67,;18.78,-7.41,;20.1,-6.61,;21.45,-7.34,;22.83,-6.68,;23.88,-7.79,;23.15,-9.14,;21.64,-8.86,;18.82,-8.95,;17.51,-9.75,)| Show InChI InChI=1S/C29H30N6O2/c36-29(30-25-4-2-1-3-5-25)35-16-17-37-27-19-24(14-15-26(27)35)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-28-31-33-34-32-28/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,36)(H,31,32,33,34)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 170 | 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
(Mus musculus (mouse)) | BDBM50020060
(CHEMBL3287885)Show SMILES [H][C@@]1(CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1)C(C)C(O)=O |r,wU:4.7,1.0,(35.97,-15.33,;35.2,-16.67,;34.43,-15.33,;32.89,-15.33,;32.12,-16.67,;32.89,-18,;34.43,-18,;30.58,-16.67,;29.81,-18,;28.27,-18,;27.5,-16.67,;28.27,-15.33,;29.81,-15.33,;25.96,-16.67,;25.19,-15.33,;23.65,-15.33,;22.88,-16.67,;21.34,-16.67,;20.57,-18,;21.34,-19.34,;22.88,-19.34,;23.65,-18,;25.19,-18,;20.57,-15.33,;21.34,-14,;19.03,-15.33,;18.26,-14,;19.03,-12.67,;18.26,-11.33,;16.72,-11.33,;15.95,-12.67,;16.72,-14,;36.74,-16.67,;37.51,-18,;37.51,-15.33,;36.74,-14,;39.05,-15.33,)| Show InChI InChI=1S/C30H32N2O4/c1-20(29(33)34)21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-16-27-28(19-25)36-18-17-32(27)30(35)31-26-5-3-2-4-6-26/h2-6,11-16,19-22H,7-10,17-18H2,1H3,(H,31,35)(H,33,34)/t20?,21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 200 | 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
(Mus musculus (mouse)) | BDBM50020061
(CHEMBL3287891)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)nc1 |r| Show InChI InChI=1S/C27H27N3O5/c1-2-21-15-30(27(33)29-20-6-4-3-5-7-20)23-10-8-17(13-24(23)35-21)18-9-11-25(28-14-18)34-16-19-12-22(19)26(31)32/h3-11,13-14,19,21-22H,2,12,15-16H2,1H3,(H,29,33)(H,31,32)/t19-,21?,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | 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)) | BDBM50020058
(CHEMBL3287883)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)NC1CCCCC1 |r,wU:7.10,wD:4.3,(22.51,3.03,;21.2,2.23,;19.84,2.96,;21.23,.69,;19.92,-.12,;18.57,.63,;17.25,-.18,;17.29,-1.72,;18.64,-2.46,;19.95,-1.66,;15.97,-2.52,;14.62,-1.78,;13.31,-2.58,;13.35,-4.12,;14.7,-4.86,;16.01,-4.06,;12.03,-4.92,;12.07,-6.46,;10.75,-7.26,;9.4,-6.52,;8.09,-7.32,;6.74,-6.58,;6.7,-5.04,;8.01,-4.24,;9.37,-4.98,;10.68,-4.18,;8.12,-8.86,;9.47,-9.6,;6.81,-9.66,;6.84,-11.2,;5.54,-11.99,;5.56,-13.52,;6.91,-14.26,;8.22,-13.47,;8.19,-11.93,)| Show InChI InChI=1S/C29H36N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h10-15,19-21,25H,1-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 230 | 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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50020062
(CHEMBL3287893)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC2(CCC2)C(O)=O)nc1 Show InChI InChI=1S/C28H29N3O5/c1-2-22-17-31(27(34)30-21-7-4-3-5-8-21)23-11-9-19(15-24(23)36-22)20-10-12-25(29-16-20)35-18-28(26(32)33)13-6-14-28/h3-5,7-12,15-16,22H,2,6,13-14,17-18H2,1H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020064
(CHEMBL3286412)Show SMILES CC(C)C1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.35,wD:28.31,(17.6,-1.43,;18.37,-2.77,;19.91,-2.77,;17.6,-4.1,;18.37,-5.44,;17.6,-6.77,;18.37,-8.1,;17.6,-9.44,;19.91,-8.1,;20.68,-9.44,;22.22,-9.44,;22.99,-10.77,;22.22,-12.1,;20.68,-12.1,;19.91,-10.77,;16.06,-6.77,;15.29,-8.1,;13.75,-8.1,;12.98,-6.77,;13.75,-5.44,;15.29,-5.44,;16.06,-4.1,;11.44,-6.77,;10.67,-5.44,;9.13,-5.44,;8.36,-6.77,;9.13,-8.1,;10.67,-8.1,;6.82,-6.77,;6.05,-5.44,;4.51,-5.44,;3.74,-6.77,;2.2,-6.77,;1.43,-5.44,;2.2,-4.1,;-.11,-5.44,;4.51,-8.1,;6.05,-8.1,)| Show InChI InChI=1S/C32H36N2O4/c1-21(2)30-20-34(32(37)33-27-6-4-3-5-7-27)28-17-16-26(19-29(28)38-30)25-14-12-24(13-15-25)23-10-8-22(9-11-23)18-31(35)36/h3-7,12-17,19,21-23,30H,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t22-,23-,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 300 | 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)) | BDBM50020063
(CHEMBL3287886)Show SMILES ONC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:8.11,wD:5.4,(23.03,-4.59,;23.07,-6.13,;21.75,-6.93,;20.4,-6.19,;21.79,-8.47,;20.47,-9.27,;19.12,-8.52,;17.81,-9.32,;17.85,-10.86,;19.2,-11.6,;20.51,-10.8,;16.53,-11.66,;15.18,-10.92,;13.87,-11.72,;13.91,-13.26,;15.26,-14,;16.57,-13.2,;12.59,-14.06,;12.63,-15.6,;11.32,-16.4,;9.96,-15.66,;8.65,-16.46,;7.3,-15.72,;7.26,-14.18,;8.58,-13.38,;9.93,-14.12,;11.24,-13.32,;8.69,-18,;10.03,-18.73,;7.37,-18.8,;7.41,-20.34,;6.09,-21.13,;6.13,-22.67,;7.48,-23.41,;8.8,-22.6,;8.76,-21.07,)| Show InChI InChI=1S/C29H31N3O4/c33-28(31-35)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)36-17-16-32(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21,35H,6-9,16-18H2,(H,30,34)(H,31,33)/t20-,21- | PDB
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PubMed
| n/a | n/a | 300 | 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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50020065
(CHEMBL3287895)Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1cnc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C26H28N4O5/c1-4-20-15-30(25(33)29-19-8-6-5-7-9-19)21-11-10-17(12-22(21)35-20)18-13-27-24(28-14-18)34-16-26(2,3)23(31)32/h5-14,20H,4,15-16H2,1-3H3,(H,29,33)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 310 | 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
(Mus musculus (mouse)) | BDBM50020066
(CHEMBL3287866)Show SMILES C[C@H]1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,1.0,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)| Show InChI InChI=1S/C30H32N2O4/c1-20-19-32(30(35)31-26-5-3-2-4-6-26)27-16-15-25(18-28(27)36-20)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-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | 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)) | BDBM50020059
(CHEMBL3287887)Show SMILES O=C(Nc1ccccc1)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:25.28,wD:28.32,(8.34,-16.89,;6.99,-16.15,;5.67,-16.95,;5.71,-18.49,;4.39,-19.28,;4.43,-20.82,;5.78,-21.56,;7.1,-20.75,;7.05,-19.22,;6.95,-14.61,;5.6,-13.87,;5.56,-12.33,;6.88,-11.53,;8.23,-12.27,;9.55,-11.47,;10.9,-12.21,;10.93,-13.75,;9.62,-14.55,;8.27,-13.81,;12.21,-11.41,;13.56,-12.15,;14.87,-11.35,;14.84,-9.81,;13.49,-9.07,;12.17,-9.87,;16.15,-9.01,;16.11,-7.47,;17.43,-6.67,;18.78,-7.41,;20.1,-6.61,;21.45,-7.34,;22.83,-6.68,;23.88,-7.79,;23.15,-9.14,;21.64,-8.86,;18.82,-8.95,;17.51,-9.75,)| Show InChI InChI=1S/C29H30N6O2/c36-29(30-25-4-2-1-3-5-25)35-16-17-37-27-19-24(14-15-26(27)35)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-28-31-33-34-32-28/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,36)(H,31,32,33,34)/t20-,21- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 360 | 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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