Found 49 hits of Enzyme Inhibition Constant Data 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)) | BDBM50009445
(CHEMBL3233889)Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.34,wD:34.38,(9.81,-20.41,;11.14,-21.18,;11.14,-22.72,;12.47,-23.49,;12.48,-25.03,;13.81,-25.8,;11.15,-25.81,;9.81,-25.04,;8.48,-25.81,;7.14,-25.05,;5.81,-25.82,;4.48,-25.05,;3.14,-25.83,;1.81,-25.05,;.48,-25.82,;.49,-27.37,;1.83,-28.13,;3.16,-27.36,;13.81,-22.72,;15.14,-23.48,;16.48,-22.71,;16.47,-21.16,;15.13,-20.4,;13.81,-21.17,;12.47,-20.41,;17.8,-20.38,;19.14,-21.15,;20.47,-20.38,;20.46,-18.83,;19.11,-18.07,;17.79,-18.85,;21.79,-18.05,;21.78,-16.52,;23.11,-15.74,;24.45,-16.51,;25.78,-15.73,;27.12,-16.5,;27.12,-18.03,;28.45,-15.72,;24.45,-18.05,;23.13,-18.82,)| Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009439
(CHEMBL3233885)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(69.09,-49.64,;69.08,-48.11,;70.4,-47.32,;67.74,-47.35,;66.41,-48.12,;65.07,-47.37,;63.74,-48.15,;63.75,-49.68,;65.1,-50.44,;66.42,-49.67,;62.43,-50.46,;62.44,-52,;61.12,-52.79,;59.77,-52.02,;59.76,-50.49,;61.08,-49.71,;58.45,-52.8,;57.11,-52.04,;55.78,-52.82,;55.8,-54.37,;54.48,-55.15,;54.49,-56.69,;55.83,-57.45,;57.17,-56.67,;57.15,-55.13,;58.47,-54.34,;53.14,-54.39,;53.13,-52.85,;51.82,-55.17,;50.48,-54.41,;50.46,-52.87,;49.12,-52.11,;47.8,-52.89,;47.81,-54.44,;49.15,-55.19,)| Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009444
(CHEMBL3233888)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)| Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009439
(CHEMBL3233885)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(69.09,-49.64,;69.08,-48.11,;70.4,-47.32,;67.74,-47.35,;66.41,-48.12,;65.07,-47.37,;63.74,-48.15,;63.75,-49.68,;65.1,-50.44,;66.42,-49.67,;62.43,-50.46,;62.44,-52,;61.12,-52.79,;59.77,-52.02,;59.76,-50.49,;61.08,-49.71,;58.45,-52.8,;57.11,-52.04,;55.78,-52.82,;55.8,-54.37,;54.48,-55.15,;54.49,-56.69,;55.83,-57.45,;57.17,-56.67,;57.15,-55.13,;58.47,-54.34,;53.14,-54.39,;53.13,-52.85,;51.82,-55.17,;50.48,-54.41,;50.46,-52.87,;49.12,-52.11,;47.8,-52.89,;47.81,-54.44,;49.15,-55.19,)| Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009445
(CHEMBL3233889)Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.34,wD:34.38,(9.81,-20.41,;11.14,-21.18,;11.14,-22.72,;12.47,-23.49,;12.48,-25.03,;13.81,-25.8,;11.15,-25.81,;9.81,-25.04,;8.48,-25.81,;7.14,-25.05,;5.81,-25.82,;4.48,-25.05,;3.14,-25.83,;1.81,-25.05,;.48,-25.82,;.49,-27.37,;1.83,-28.13,;3.16,-27.36,;13.81,-22.72,;15.14,-23.48,;16.48,-22.71,;16.47,-21.16,;15.13,-20.4,;13.81,-21.17,;12.47,-20.41,;17.8,-20.38,;19.14,-21.15,;20.47,-20.38,;20.46,-18.83,;19.11,-18.07,;17.79,-18.85,;21.79,-18.05,;21.78,-16.52,;23.11,-15.74,;24.45,-16.51,;25.78,-15.73,;27.12,-16.5,;27.12,-18.03,;28.45,-15.72,;24.45,-18.05,;23.13,-18.82,)| Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009446
(CHEMBL3233891)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1 Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009443
(CHEMBL3233887)Show SMILES CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1 |r,wU:27.29,wD:30.33,(29.37,-6.9,;28.04,-7.67,;26.71,-6.9,;28.04,-9.21,;26.71,-9.98,;26.72,-11.53,;28.05,-12.29,;29.38,-11.51,;30.72,-12.28,;32.05,-11.51,;33.38,-12.28,;32.04,-9.97,;30.71,-9.2,;30.71,-7.65,;32.04,-6.88,;33.38,-7.65,;34.7,-6.87,;36.04,-7.63,;36.05,-9.18,;34.71,-9.96,;33.38,-9.19,;37.37,-6.86,;38.71,-7.63,;40.04,-6.85,;40.03,-5.31,;38.68,-4.55,;37.36,-5.33,;41.35,-4.53,;41.34,-3,;42.68,-2.22,;44.02,-2.98,;45.35,-2.21,;46.69,-2.97,;46.69,-4.51,;48.02,-2.19,;44.02,-4.52,;42.7,-5.3,;29.38,-9.98,)| Show InChI InChI=1S/C33H34N2O3/c1-21(2)26-4-3-5-28(19-26)35-33(38)30-16-17-34-31-20-27(14-15-29(30)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-32(36)37/h3-5,10-17,19-23H,6-9,18H2,1-2H3,(H,35,38)(H,36,37)/t22-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009441
(CHEMBL3233886)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(23.38,-4.8,;23.38,-3.27,;24.71,-2.49,;22.04,-2.5,;20.71,-3.28,;19.37,-2.51,;18.03,-3.29,;18.04,-4.82,;19.39,-5.59,;20.71,-4.82,;16.72,-5.6,;16.73,-7.15,;15.4,-7.92,;14.06,-7.15,;14.05,-5.62,;15.37,-4.84,;12.73,-7.93,;12.74,-9.48,;11.4,-10.25,;10.07,-9.49,;8.73,-10.26,;7.4,-9.49,;7.4,-7.95,;8.73,-7.18,;10.07,-7.94,;11.39,-7.17,;8.74,-11.8,;10.07,-12.57,;7.41,-12.58,;6.07,-11.81,;6.07,-10.27,;4.73,-9.5,;3.4,-10.28,;3.41,-11.83,;4.74,-12.59,)| Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009444
(CHEMBL3233888)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)| Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009390
(CHEMBL3233871)Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 |r| Show InChI InChI=1S/C27H22F4N2O5/c28-22-14-17(15-4-6-16(7-5-15)24(34)20-2-1-3-21(20)25(35)36)8-13-23(22)33-26(37)32-18-9-11-19(12-10-18)38-27(29,30)31/h4-14,20-21H,1-3H2,(H,35,36)(H2,32,33,37)/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
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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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
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
KEGG
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| CHEMBL
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009441
(CHEMBL3233886)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(23.38,-4.8,;23.38,-3.27,;24.71,-2.49,;22.04,-2.5,;20.71,-3.28,;19.37,-2.51,;18.03,-3.29,;18.04,-4.82,;19.39,-5.59,;20.71,-4.82,;16.72,-5.6,;16.73,-7.15,;15.4,-7.92,;14.06,-7.15,;14.05,-5.62,;15.37,-4.84,;12.73,-7.93,;12.74,-9.48,;11.4,-10.25,;10.07,-9.49,;8.73,-10.26,;7.4,-9.49,;7.4,-7.95,;8.73,-7.18,;10.07,-7.94,;11.39,-7.17,;8.74,-11.8,;10.07,-12.57,;7.41,-12.58,;6.07,-11.81,;6.07,-10.27,;4.73,-9.5,;3.4,-10.28,;3.41,-11.83,;4.74,-12.59,)| Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21- | PDB
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| CHEMBL
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PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009416
(CHEMBL3233883)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,(33.08,-49.11,;33.07,-47.57,;34.4,-46.79,;31.73,-46.81,;30.4,-47.59,;29.06,-46.83,;27.73,-47.61,;27.75,-49.14,;29.09,-49.91,;30.41,-49.13,;26.42,-49.93,;26.44,-51.47,;25.11,-52.25,;23.77,-51.49,;23.75,-49.96,;25.07,-49.17,;22.44,-52.27,;21.1,-51.51,;19.77,-52.28,;19.8,-53.83,;18.48,-54.61,;19.1,-56.08,;20.84,-56.11,;21.15,-54.6,;22.46,-53.8,;17.14,-53.85,;17.13,-52.31,;15.81,-54.63,;14.47,-53.87,;14.46,-52.34,;13.12,-51.58,;11.79,-52.36,;11.81,-53.9,;13.15,-54.66,)| Show InChI InChI=1S/C29H30N2O3/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/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009443
(CHEMBL3233887)Show SMILES CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1 |r,wU:27.29,wD:30.33,(29.37,-6.9,;28.04,-7.67,;26.71,-6.9,;28.04,-9.21,;26.71,-9.98,;26.72,-11.53,;28.05,-12.29,;29.38,-11.51,;30.72,-12.28,;32.05,-11.51,;33.38,-12.28,;32.04,-9.97,;30.71,-9.2,;30.71,-7.65,;32.04,-6.88,;33.38,-7.65,;34.7,-6.87,;36.04,-7.63,;36.05,-9.18,;34.71,-9.96,;33.38,-9.19,;37.37,-6.86,;38.71,-7.63,;40.04,-6.85,;40.03,-5.31,;38.68,-4.55,;37.36,-5.33,;41.35,-4.53,;41.34,-3,;42.68,-2.22,;44.02,-2.98,;45.35,-2.21,;46.69,-2.97,;46.69,-4.51,;48.02,-2.19,;44.02,-4.52,;42.7,-5.3,;29.38,-9.98,)| Show InChI InChI=1S/C33H34N2O3/c1-21(2)26-4-3-5-28(19-26)35-33(38)30-16-17-34-31-20-27(14-15-29(30)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-32(36)37/h3-5,10-17,19-23H,6-9,18H2,1-2H3,(H,35,38)(H,36,37)/t22-,23- | PDB
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| CHEMBL
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
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
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| CHEMBL
PC cid
PC sid
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| 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 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009416
(CHEMBL3233883)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,(33.08,-49.11,;33.07,-47.57,;34.4,-46.79,;31.73,-46.81,;30.4,-47.59,;29.06,-46.83,;27.73,-47.61,;27.75,-49.14,;29.09,-49.91,;30.41,-49.13,;26.42,-49.93,;26.44,-51.47,;25.11,-52.25,;23.77,-51.49,;23.75,-49.96,;25.07,-49.17,;22.44,-52.27,;21.1,-51.51,;19.77,-52.28,;19.8,-53.83,;18.48,-54.61,;19.1,-56.08,;20.84,-56.11,;21.15,-54.6,;22.46,-53.8,;17.14,-53.85,;17.13,-52.31,;15.81,-54.63,;14.47,-53.87,;14.46,-52.34,;13.12,-51.58,;11.79,-52.36,;11.81,-53.9,;13.15,-54.66,)| Show InChI InChI=1S/C29H30N2O3/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/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM113723
(US8637507, B-17)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009398
(CHEMBL3233879)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCCc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(21.29,-37.92,;21.28,-36.38,;22.61,-35.6,;19.94,-35.62,;18.62,-36.4,;17.27,-35.64,;15.94,-36.42,;15.96,-37.95,;17.3,-38.72,;18.62,-37.94,;14.64,-38.74,;14.65,-40.28,;13.32,-41.06,;11.98,-40.3,;11.97,-38.77,;13.29,-37.98,;10.66,-41.08,;9.32,-40.32,;7.98,-41.09,;8.01,-42.64,;6.69,-43.42,;6.7,-44.96,;8.04,-45.72,;9.37,-44.94,;9.35,-43.4,;10.67,-42.61,;5.35,-42.66,;5.34,-41.12,;4.02,-43.44,;2.68,-42.68,;2.67,-41.15,;1.33,-40.39,;0,-41.17,;.02,-42.72,;1.36,-43.47,)| Show InChI InChI=1S/C30H32N2O3/c33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27/h1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009446
(CHEMBL3233891)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1 Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009398
(CHEMBL3233879)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCCc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(21.29,-37.92,;21.28,-36.38,;22.61,-35.6,;19.94,-35.62,;18.62,-36.4,;17.27,-35.64,;15.94,-36.42,;15.96,-37.95,;17.3,-38.72,;18.62,-37.94,;14.64,-38.74,;14.65,-40.28,;13.32,-41.06,;11.98,-40.3,;11.97,-38.77,;13.29,-37.98,;10.66,-41.08,;9.32,-40.32,;7.98,-41.09,;8.01,-42.64,;6.69,-43.42,;6.7,-44.96,;8.04,-45.72,;9.37,-44.94,;9.35,-43.4,;10.67,-42.61,;5.35,-42.66,;5.34,-41.12,;4.02,-43.44,;2.68,-42.68,;2.67,-41.15,;1.33,-40.39,;0,-41.17,;.02,-42.72,;1.36,-43.47,)| Show InChI InChI=1S/C30H32N2O3/c33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27/h1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34)/t21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009397
(CHEMBL3233878)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(67.26,-24.95,;67.29,-23.42,;68.63,-22.66,;65.97,-22.62,;64.62,-23.37,;63.3,-22.58,;61.95,-23.33,;61.93,-24.86,;63.25,-25.66,;64.59,-24.91,;60.59,-25.62,;60.56,-27.16,;59.22,-27.91,;57.9,-27.12,;57.92,-25.59,;59.25,-24.83,;56.55,-27.87,;55.23,-27.07,;53.88,-27.81,;53.87,-29.36,;52.69,-30.38,;53.3,-31.81,;54.85,-31.67,;55.2,-30.16,;56.53,-29.4,;51.19,-30.03,;50.74,-28.56,;50.14,-31.16,;48.64,-30.81,;48.2,-29.34,;46.7,-28.99,;45.65,-30.12,;46.11,-31.6,;47.6,-31.94,)| Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25-26(18-30-27(25)17-23)29(34)31-24-4-2-1-3-5-24/h1-5,10-15,17-20,30H,6-9,16H2,(H,31,34)(H,32,33)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM113723
(US8637507, B-17)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
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Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009397
(CHEMBL3233878)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(67.26,-24.95,;67.29,-23.42,;68.63,-22.66,;65.97,-22.62,;64.62,-23.37,;63.3,-22.58,;61.95,-23.33,;61.93,-24.86,;63.25,-25.66,;64.59,-24.91,;60.59,-25.62,;60.56,-27.16,;59.22,-27.91,;57.9,-27.12,;57.92,-25.59,;59.25,-24.83,;56.55,-27.87,;55.23,-27.07,;53.88,-27.81,;53.87,-29.36,;52.69,-30.38,;53.3,-31.81,;54.85,-31.67,;55.2,-30.16,;56.53,-29.4,;51.19,-30.03,;50.74,-28.56,;50.14,-31.16,;48.64,-30.81,;48.2,-29.34,;46.7,-28.99,;45.65,-30.12,;46.11,-31.6,;47.6,-31.94,)| Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25-26(18-30-27(25)17-23)29(34)31-24-4-2-1-3-5-24/h1-5,10-15,17-20,30H,6-9,16H2,(H,31,34)(H,32,33)/t19-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009396
(CHEMBL3233877)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(43.59,-26.51,;43.62,-24.98,;44.96,-24.23,;42.3,-24.19,;40.95,-24.93,;39.63,-24.14,;38.28,-24.89,;38.26,-26.43,;39.58,-27.22,;40.92,-26.47,;36.92,-27.18,;36.89,-28.72,;35.55,-29.47,;34.23,-28.68,;34.25,-27.15,;35.58,-26.39,;32.88,-29.43,;32.86,-30.96,;31.52,-31.71,;30.2,-30.92,;28.72,-31.39,;27.82,-30.12,;28.74,-28.88,;30.21,-29.37,;31.56,-28.63,;26.28,-30.11,;25.52,-28.77,;25.5,-31.43,;23.96,-31.42,;23.2,-30.08,;21.67,-30.06,;20.88,-31.39,;21.65,-32.73,;23.18,-32.74,)| Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24-18-27(31-26(24)17-23)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20,31H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 448 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009396
(CHEMBL3233877)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(43.59,-26.51,;43.62,-24.98,;44.96,-24.23,;42.3,-24.19,;40.95,-24.93,;39.63,-24.14,;38.28,-24.89,;38.26,-26.43,;39.58,-27.22,;40.92,-26.47,;36.92,-27.18,;36.89,-28.72,;35.55,-29.47,;34.23,-28.68,;34.25,-27.15,;35.58,-26.39,;32.88,-29.43,;32.86,-30.96,;31.52,-31.71,;30.2,-30.92,;28.72,-31.39,;27.82,-30.12,;28.74,-28.88,;30.21,-29.37,;31.56,-28.63,;26.28,-30.11,;25.52,-28.77,;25.5,-31.43,;23.96,-31.42,;23.2,-30.08,;21.67,-30.06,;20.88,-31.39,;21.65,-32.73,;23.18,-32.74,)| Show InChI InChI=1S/C29H28N2O3/c32-28(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24-18-27(31-26(24)17-23)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20,31H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50009444
(CHEMBL3233888)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)| Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22- | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM113723
(US8637507, B-17)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009399
(CHEMBL3233880)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCC(=O)c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(42.81,-36.7,;42.8,-35.16,;44.13,-34.38,;41.47,-34.4,;40.14,-35.18,;38.8,-34.42,;37.46,-35.2,;37.48,-36.74,;38.82,-37.5,;40.15,-36.72,;36.16,-37.52,;36.17,-39.06,;34.84,-39.84,;33.5,-39.08,;33.49,-37.55,;34.81,-36.77,;32.18,-39.86,;30.84,-39.1,;29.5,-39.87,;29.53,-41.43,;28.21,-42.21,;28.22,-43.75,;29.56,-44.51,;30.89,-43.72,;32.24,-44.48,;30.87,-42.19,;32.19,-41.4,;26.87,-41.45,;26.86,-39.91,;25.54,-42.23,;24.2,-41.47,;24.19,-39.93,;22.85,-39.17,;21.52,-39.95,;21.54,-41.5,;22.88,-42.25,)| Show InChI InChI=1S/C30H30N2O4/c33-28-16-17-32(30(36)31-25-4-2-1-3-5-25)27-15-14-24(19-26(27)28)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-29(34)35/h1-5,10-15,19-21H,6-9,16-18H2,(H,31,36)(H,34,35)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009394
(CHEMBL3233875)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc([nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(68.06,-14.35,;68.09,-12.82,;69.43,-12.06,;66.77,-12.02,;65.42,-12.77,;64.1,-11.98,;62.75,-12.73,;62.73,-14.26,;64.05,-15.06,;65.39,-14.31,;61.39,-15.02,;61.36,-16.56,;60.02,-17.31,;58.7,-16.51,;58.72,-14.98,;60.05,-14.23,;57.35,-17.26,;57.33,-18.8,;55.99,-19.55,;54.66,-18.76,;53.19,-19.22,;52.29,-17.96,;53.21,-16.72,;54.68,-17.21,;56.03,-16.47,;50.75,-17.95,;49.99,-16.61,;49.97,-19.27,;48.43,-19.26,;47.67,-17.91,;46.13,-17.9,;45.35,-19.23,;46.11,-20.57,;47.65,-20.58,)| Show InChI InChI=1S/C28H27N3O3/c32-26(33)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-24-25(17-22)31-27(30-24)28(34)29-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,29,34)(H,30,31)(H,32,33)/t18-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.03E+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 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009392
(CHEMBL3233873)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2oc(Nc3ccccc3)nc2c1 |r,wU:7.10,wD:4.3,(21.48,-17.04,;21.51,-15.5,;22.85,-14.75,;20.19,-14.71,;18.84,-15.46,;17.52,-14.66,;16.17,-15.41,;16.15,-16.95,;17.48,-17.74,;18.82,-17,;14.81,-17.7,;14.78,-19.24,;13.44,-19.99,;12.12,-19.2,;12.14,-17.67,;13.48,-16.91,;10.77,-19.95,;10.75,-21.48,;9.42,-22.24,;8.09,-21.44,;6.61,-21.91,;5.71,-20.65,;4.17,-20.63,;3.42,-19.29,;4.2,-17.97,;3.45,-16.63,;1.91,-16.61,;1.12,-17.95,;1.88,-19.28,;6.63,-19.4,;8.1,-19.9,;9.45,-19.16,)| Show InChI InChI=1S/C27H26N2O3/c30-26(31)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-25-24(17-22)29-27(32-25)28-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,28,29)(H,30,31)/t18-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.39E+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 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009395
(CHEMBL3233876)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ncc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(22.24,-26.53,;22.26,-25,;23.61,-24.24,;20.94,-24.2,;19.6,-24.95,;18.27,-24.16,;16.92,-24.91,;16.91,-26.44,;18.23,-27.24,;19.57,-26.49,;15.56,-27.2,;15.54,-28.74,;14.2,-29.49,;12.87,-28.69,;12.89,-27.16,;14.23,-26.41,;11.53,-29.44,;10.21,-28.65,;8.86,-29.39,;8.84,-30.94,;7.67,-31.96,;8.28,-33.39,;9.82,-33.25,;10.17,-31.74,;11.51,-30.98,;6.17,-31.61,;5.72,-30.14,;5.12,-32.74,;3.62,-32.39,;3.18,-30.92,;1.68,-30.57,;.63,-31.7,;1.08,-33.18,;2.58,-33.52,)| Show InChI InChI=1S/C28H27N3O3/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-31(26)28(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009395
(CHEMBL3233876)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ncc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(22.24,-26.53,;22.26,-25,;23.61,-24.24,;20.94,-24.2,;19.6,-24.95,;18.27,-24.16,;16.92,-24.91,;16.91,-26.44,;18.23,-27.24,;19.57,-26.49,;15.56,-27.2,;15.54,-28.74,;14.2,-29.49,;12.87,-28.69,;12.89,-27.16,;14.23,-26.41,;11.53,-29.44,;10.21,-28.65,;8.86,-29.39,;8.84,-30.94,;7.67,-31.96,;8.28,-33.39,;9.82,-33.25,;10.17,-31.74,;11.51,-30.98,;6.17,-31.61,;5.72,-30.14,;5.12,-32.74,;3.62,-32.39,;3.18,-30.92,;1.68,-30.57,;.63,-31.7,;1.08,-33.18,;2.58,-33.52,)| Show InChI InChI=1S/C28H27N3O3/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-31(26)28(34)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,30,34)(H,32,33)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.74E+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 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009392
(CHEMBL3233873)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2oc(Nc3ccccc3)nc2c1 |r,wU:7.10,wD:4.3,(21.48,-17.04,;21.51,-15.5,;22.85,-14.75,;20.19,-14.71,;18.84,-15.46,;17.52,-14.66,;16.17,-15.41,;16.15,-16.95,;17.48,-17.74,;18.82,-17,;14.81,-17.7,;14.78,-19.24,;13.44,-19.99,;12.12,-19.2,;12.14,-17.67,;13.48,-16.91,;10.77,-19.95,;10.75,-21.48,;9.42,-22.24,;8.09,-21.44,;6.61,-21.91,;5.71,-20.65,;4.17,-20.63,;3.42,-19.29,;4.2,-17.97,;3.45,-16.63,;1.91,-16.61,;1.12,-17.95,;1.88,-19.28,;6.63,-19.4,;8.1,-19.9,;9.45,-19.16,)| Show InChI InChI=1S/C27H26N2O3/c30-26(31)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-25-24(17-22)29-27(32-25)28-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,28,29)(H,30,31)/t18-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009441
(CHEMBL3233886)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(23.38,-4.8,;23.38,-3.27,;24.71,-2.49,;22.04,-2.5,;20.71,-3.28,;19.37,-2.51,;18.03,-3.29,;18.04,-4.82,;19.39,-5.59,;20.71,-4.82,;16.72,-5.6,;16.73,-7.15,;15.4,-7.92,;14.06,-7.15,;14.05,-5.62,;15.37,-4.84,;12.73,-7.93,;12.74,-9.48,;11.4,-10.25,;10.07,-9.49,;8.73,-10.26,;7.4,-9.49,;7.4,-7.95,;8.73,-7.18,;10.07,-7.94,;11.39,-7.17,;8.74,-11.8,;10.07,-12.57,;7.41,-12.58,;6.07,-11.81,;6.07,-10.27,;4.73,-9.5,;3.4,-10.28,;3.41,-11.83,;4.74,-12.59,)| Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21- | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009400
(CHEMBL3233881)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCNc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(66.46,-34.73,;66.45,-33.2,;67.78,-32.41,;65.11,-32.43,;63.79,-33.21,;62.44,-32.45,;61.11,-33.24,;61.13,-34.77,;62.47,-35.53,;63.8,-34.75,;59.81,-35.55,;59.82,-37.09,;58.49,-37.87,;57.15,-37.11,;57.14,-35.58,;58.46,-34.8,;55.83,-37.89,;54.49,-37.13,;53.15,-37.9,;53.18,-39.46,;51.86,-40.24,;51.87,-41.78,;53.21,-42.54,;54.54,-41.76,;54.52,-40.22,;55.84,-39.43,;50.52,-39.48,;50.51,-37.94,;49.19,-40.26,;47.85,-39.5,;47.84,-37.96,;46.5,-37.2,;45.17,-37.98,;45.19,-39.53,;46.53,-40.28,)| Show InChI InChI=1S/C29H31N3O3/c33-28(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-26(19-24)30-16-17-32(27)29(35)31-25-4-2-1-3-5-25/h1-5,10-15,19-21,30H,6-9,16-18H2,(H,31,35)(H,33,34)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009394
(CHEMBL3233875)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc([nH]c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(68.06,-14.35,;68.09,-12.82,;69.43,-12.06,;66.77,-12.02,;65.42,-12.77,;64.1,-11.98,;62.75,-12.73,;62.73,-14.26,;64.05,-15.06,;65.39,-14.31,;61.39,-15.02,;61.36,-16.56,;60.02,-17.31,;58.7,-16.51,;58.72,-14.98,;60.05,-14.23,;57.35,-17.26,;57.33,-18.8,;55.99,-19.55,;54.66,-18.76,;53.19,-19.22,;52.29,-17.96,;53.21,-16.72,;54.68,-17.21,;56.03,-16.47,;50.75,-17.95,;49.99,-16.61,;49.97,-19.27,;48.43,-19.26,;47.67,-17.91,;46.13,-17.9,;45.35,-19.23,;46.11,-20.57,;47.65,-20.58,)| Show InChI InChI=1S/C28H27N3O3/c32-26(33)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-24-25(17-22)31-27(30-24)28(34)29-23-4-2-1-3-5-23/h1-5,10-15,17-19H,6-9,16H2,(H,29,34)(H,30,31)(H,32,33)/t18-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009393
(CHEMBL3233874)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc(Nc3ccccc3)ncc2c1 |r,wU:7.10,wD:4.3,(43.43,-15.9,;43.42,-14.37,;44.75,-13.58,;42.08,-13.61,;40.75,-14.39,;39.41,-13.63,;38.08,-14.41,;38.1,-15.94,;39.44,-16.7,;40.76,-15.93,;36.77,-16.72,;36.78,-18.27,;35.46,-19.05,;34.12,-18.28,;34.1,-16.75,;35.42,-15.97,;32.79,-19.07,;32.81,-20.6,;31.49,-21.38,;30.15,-20.63,;28.82,-21.43,;27.47,-20.69,;26.15,-21.49,;24.8,-20.75,;24.77,-19.21,;23.42,-18.47,;22.11,-19.27,;22.15,-20.82,;23.5,-21.55,;27.43,-19.13,;28.76,-18.33,;30.12,-19.08,;31.45,-18.3,)| Show InChI InChI=1S/C28H27N3O2/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-28(31-26)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,32,33)(H,29,30,31)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.55E+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 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009400
(CHEMBL3233881)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCNc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(66.46,-34.73,;66.45,-33.2,;67.78,-32.41,;65.11,-32.43,;63.79,-33.21,;62.44,-32.45,;61.11,-33.24,;61.13,-34.77,;62.47,-35.53,;63.8,-34.75,;59.81,-35.55,;59.82,-37.09,;58.49,-37.87,;57.15,-37.11,;57.14,-35.58,;58.46,-34.8,;55.83,-37.89,;54.49,-37.13,;53.15,-37.9,;53.18,-39.46,;51.86,-40.24,;51.87,-41.78,;53.21,-42.54,;54.54,-41.76,;54.52,-40.22,;55.84,-39.43,;50.52,-39.48,;50.51,-37.94,;49.19,-40.26,;47.85,-39.5,;47.84,-37.96,;46.5,-37.2,;45.17,-37.98,;45.19,-39.53,;46.53,-40.28,)| Show InChI InChI=1S/C29H31N3O3/c33-28(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-26(19-24)30-16-17-32(27)29(35)31-25-4-2-1-3-5-25/h1-5,10-15,19-21,30H,6-9,16-18H2,(H,31,35)(H,33,34)/t20-,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.26E+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 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(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 | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009404
(CHEMBL3233882)Show SMILES CN1CCN(C(=O)Nc2ccccc2)c2ccc(cc2C1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.30,wD:30.34,(7.13,-56.94,;6.55,-55.51,;5,-55.41,;4.1,-54.14,;4.54,-52.65,;3.32,-52.08,;3.31,-50.54,;1.99,-52.86,;.65,-52.1,;.64,-50.56,;-.7,-49.8,;-2.03,-50.58,;-2.02,-52.13,;-.68,-52.88,;5.98,-52.06,;5.95,-50.5,;7.28,-49.73,;8.62,-50.49,;8.64,-52.03,;7.33,-52.82,;7.58,-54.35,;9.95,-49.71,;11.29,-50.47,;12.61,-49.69,;12.6,-48.15,;11.25,-47.4,;9.93,-48.18,;13.93,-47.37,;13.91,-45.84,;15.24,-45.05,;16.58,-45.81,;17.91,-45.04,;19.25,-45.8,;19.26,-47.33,;20.57,-45.01,;16.59,-47.35,;15.27,-48.13,)| Show InChI InChI=1S/C31H35N3O3/c1-33-17-18-34(31(37)32-28-5-3-2-4-6-28)29-16-15-26(20-27(29)21-33)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-30(35)36/h2-6,11-16,20,22-23H,7-10,17-19,21H2,1H3,(H,32,37)(H,35,36)/t22-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009393
(CHEMBL3233874)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc(Nc3ccccc3)ncc2c1 |r,wU:7.10,wD:4.3,(43.43,-15.9,;43.42,-14.37,;44.75,-13.58,;42.08,-13.61,;40.75,-14.39,;39.41,-13.63,;38.08,-14.41,;38.1,-15.94,;39.44,-16.7,;40.76,-15.93,;36.77,-16.72,;36.78,-18.27,;35.46,-19.05,;34.12,-18.28,;34.1,-16.75,;35.42,-15.97,;32.79,-19.07,;32.81,-20.6,;31.49,-21.38,;30.15,-20.63,;28.82,-21.43,;27.47,-20.69,;26.15,-21.49,;24.8,-20.75,;24.77,-19.21,;23.42,-18.47,;22.11,-19.27,;22.15,-20.82,;23.5,-21.55,;27.43,-19.13,;28.76,-18.33,;30.12,-19.08,;31.45,-18.3,)| Show InChI InChI=1S/C28H27N3O2/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-28(31-26)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,32,33)(H,29,30,31)/t19-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(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- | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009399
(CHEMBL3233880)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCC(=O)c2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(42.81,-36.7,;42.8,-35.16,;44.13,-34.38,;41.47,-34.4,;40.14,-35.18,;38.8,-34.42,;37.46,-35.2,;37.48,-36.74,;38.82,-37.5,;40.15,-36.72,;36.16,-37.52,;36.17,-39.06,;34.84,-39.84,;33.5,-39.08,;33.49,-37.55,;34.81,-36.77,;32.18,-39.86,;30.84,-39.1,;29.5,-39.87,;29.53,-41.43,;28.21,-42.21,;28.22,-43.75,;29.56,-44.51,;30.89,-43.72,;32.24,-44.48,;30.87,-42.19,;32.19,-41.4,;26.87,-41.45,;26.86,-39.91,;25.54,-42.23,;24.2,-41.47,;24.19,-39.93,;22.85,-39.17,;21.52,-39.95,;21.54,-41.5,;22.88,-42.25,)| Show InChI InChI=1S/C30H30N2O4/c33-28-16-17-32(30(36)31-25-4-2-1-3-5-25)27-15-14-24(19-26(27)28)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-29(34)35/h1-5,10-15,19-21H,6-9,16-18H2,(H,31,36)(H,34,35)/t20-,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009404
(CHEMBL3233882)Show SMILES CN1CCN(C(=O)Nc2ccccc2)c2ccc(cc2C1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.30,wD:30.34,(7.13,-56.94,;6.55,-55.51,;5,-55.41,;4.1,-54.14,;4.54,-52.65,;3.32,-52.08,;3.31,-50.54,;1.99,-52.86,;.65,-52.1,;.64,-50.56,;-.7,-49.8,;-2.03,-50.58,;-2.02,-52.13,;-.68,-52.88,;5.98,-52.06,;5.95,-50.5,;7.28,-49.73,;8.62,-50.49,;8.64,-52.03,;7.33,-52.82,;7.58,-54.35,;9.95,-49.71,;11.29,-50.47,;12.61,-49.69,;12.6,-48.15,;11.25,-47.4,;9.93,-48.18,;13.93,-47.37,;13.91,-45.84,;15.24,-45.05,;16.58,-45.81,;17.91,-45.04,;19.25,-45.8,;19.26,-47.33,;20.57,-45.01,;16.59,-47.35,;15.27,-48.13,)| Show InChI InChI=1S/C31H35N3O3/c1-33-17-18-34(31(37)32-28-5-3-2-4-6-28)29-16-15-26(20-27(29)21-33)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-30(35)36/h2-6,11-16,20,22-23H,7-10,17-19,21H2,1H3,(H,32,37)(H,35,36)/t22-,23- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50009446
(CHEMBL3233891)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1 Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(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- | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT2 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
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