Found 63 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)) | BDBM50437388
(CHEMBL3037924)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)| Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437388
(CHEMBL3037924)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)| Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437386
(CHEMBL2408620)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(42.85,-23.43,;43.62,-22.1,;45.16,-22.1,;42.85,-20.75,;43.62,-19.42,;42.85,-18.08,;41.32,-18.1,;40.54,-19.42,;41.31,-20.75,;40.54,-16.77,;39,-16.77,;38.22,-15.43,;36.69,-15.44,;35.92,-16.77,;36.69,-18.11,;38.23,-18.11,;34.39,-16.77,;33.61,-15.43,;32.08,-15.44,;31.31,-16.77,;32.08,-18.11,;33.62,-18.11,;29.77,-16.77,;28.87,-15.52,;27.4,-16,;26.07,-15.22,;24.74,-16,;23.41,-15.23,;24.74,-17.54,;23.41,-18.31,;26.07,-18.3,;27.4,-17.54,;28.87,-18.02,)| Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437387
(CHEMBL2408472)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,3.2,(20.49,-23.1,;21.26,-21.77,;22.8,-21.77,;20.49,-20.43,;21.26,-19.09,;20.49,-17.75,;18.95,-17.77,;18.18,-19.1,;18.95,-20.42,;18.18,-16.44,;16.64,-16.44,;15.86,-15.11,;14.32,-15.11,;13.56,-16.45,;14.33,-17.78,;15.87,-17.78,;12.03,-16.45,;11.25,-15.11,;9.71,-15.11,;8.95,-16.44,;9.72,-17.78,;11.26,-17.78,;7.41,-16.44,;6.5,-15.2,;5.04,-15.67,;3.71,-14.89,;2.38,-15.67,;1.04,-14.91,;2.38,-17.21,;1.05,-17.98,;3.71,-17.97,;5.04,-17.21,;6.5,-17.69,)| Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437393
(CHEMBL2408630)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437374
(CHEMBL2408470)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,3.2,(20.33,-15.61,;21.11,-14.28,;22.65,-14.28,;20.33,-12.94,;21.1,-11.6,;20.33,-10.26,;18.8,-10.28,;18.03,-11.61,;18.79,-12.93,;18.03,-8.95,;16.49,-8.95,;15.71,-7.62,;14.17,-7.63,;13.41,-8.96,;14.18,-10.29,;15.72,-10.29,;11.87,-8.96,;11.09,-7.62,;9.56,-7.62,;8.79,-8.95,;9.56,-10.29,;11.1,-10.29,;7.26,-8.95,;6.35,-10.2,;4.88,-9.72,;3.55,-10.48,;2.22,-9.72,;2.22,-8.18,;.89,-7.42,;3.55,-7.4,;4.88,-8.18,;6.35,-7.71,)| Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437390
(CHEMBL2408633)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437391
(CHEMBL2408632)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437393
(CHEMBL2408630)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437373
(CHEMBL2408471)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(41.17,-15.73,;41.94,-14.39,;43.48,-14.4,;41.17,-13.05,;41.94,-11.72,;41.17,-10.38,;39.63,-10.4,;38.86,-11.72,;39.63,-13.05,;38.86,-9.07,;37.32,-9.07,;36.54,-7.73,;35.01,-7.74,;34.24,-9.07,;35.01,-10.41,;36.55,-10.41,;32.71,-9.07,;31.93,-7.73,;30.39,-7.74,;29.63,-9.07,;30.4,-10.41,;31.94,-10.41,;28.09,-9.07,;27.19,-10.32,;25.72,-9.84,;24.39,-10.6,;23.06,-9.84,;23.06,-8.3,;21.72,-7.53,;24.39,-7.52,;25.72,-8.3,;27.19,-7.82,)| Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437389
(CHEMBL3037925)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(30.36,-37.13,;31.13,-35.8,;32.67,-35.8,;30.36,-34.46,;28.82,-34.46,;28.05,-33.12,;26.5,-33.12,;25.74,-34.46,;26.51,-35.79,;28.05,-35.79,;24.21,-34.46,;23.44,-35.8,;21.9,-35.8,;21.13,-34.47,;21.89,-33.14,;23.43,-33.13,;19.6,-34.47,;18.82,-33.13,;17.28,-33.13,;16.52,-34.46,;17.29,-35.8,;18.82,-35.8,;14.98,-34.46,;14.07,-35.71,;12.61,-35.23,;11.28,-35.99,;9.95,-35.23,;9.95,-33.69,;11.28,-32.91,;12.61,-33.69,;14.07,-33.22,;8.61,-32.93,;8.61,-31.39,;7.28,-33.7,;7.27,-32.15,)| Show InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)21-10-12-23-24(14-21)33-26(32-23)20-9-11-22(31-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(34)35/h5-12,14-17H,1-4,13H2,(H,32,33)(H,34,35)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437392
(CHEMBL2408631)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437385
(CHEMBL2408621)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,3.2,(19.65,-30.15,;20.42,-28.82,;21.96,-28.82,;19.65,-27.48,;20.42,-26.15,;19.65,-24.81,;18.11,-24.83,;17.34,-26.15,;18.11,-27.48,;17.34,-23.49,;15.8,-23.5,;15.02,-22.16,;13.48,-22.17,;12.72,-23.5,;13.49,-24.83,;15.03,-24.83,;11.19,-23.5,;10.41,-22.16,;8.87,-22.17,;8.11,-23.5,;8.88,-24.83,;10.42,-24.83,;6.57,-23.5,;5.66,-24.74,;4.2,-24.27,;2.87,-25.03,;1.54,-24.27,;1.54,-22.73,;2.87,-21.95,;4.2,-22.73,;5.66,-22.25,;.2,-21.96,;-1.14,-21.19,)| Show InChI InChI=1S/C25H21N5O3/c26-12-15-1-8-21-22(11-15)30-24(29-21)18-4-9-20(27-14-18)17-5-10-23(28-13-17)33-19-6-2-16(3-7-19)25(31)32/h1,4-5,8-11,13-14,16,19H,2-3,6-7H2,(H,29,30)(H,31,32)/t16-,19+ | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437387
(CHEMBL2408472)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,3.2,(20.49,-23.1,;21.26,-21.77,;22.8,-21.77,;20.49,-20.43,;21.26,-19.09,;20.49,-17.75,;18.95,-17.77,;18.18,-19.1,;18.95,-20.42,;18.18,-16.44,;16.64,-16.44,;15.86,-15.11,;14.32,-15.11,;13.56,-16.45,;14.33,-17.78,;15.87,-17.78,;12.03,-16.45,;11.25,-15.11,;9.71,-15.11,;8.95,-16.44,;9.72,-17.78,;11.26,-17.78,;7.41,-16.44,;6.5,-15.2,;5.04,-15.67,;3.71,-14.89,;2.38,-15.67,;1.04,-14.91,;2.38,-17.21,;1.05,-17.98,;3.71,-17.97,;5.04,-17.21,;6.5,-17.69,)| Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437374
(CHEMBL2408470)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,3.2,(20.33,-15.61,;21.11,-14.28,;22.65,-14.28,;20.33,-12.94,;21.1,-11.6,;20.33,-10.26,;18.8,-10.28,;18.03,-11.61,;18.79,-12.93,;18.03,-8.95,;16.49,-8.95,;15.71,-7.62,;14.17,-7.63,;13.41,-8.96,;14.18,-10.29,;15.72,-10.29,;11.87,-8.96,;11.09,-7.62,;9.56,-7.62,;8.79,-8.95,;9.56,-10.29,;11.1,-10.29,;7.26,-8.95,;6.35,-10.2,;4.88,-9.72,;3.55,-10.48,;2.22,-9.72,;2.22,-8.18,;.89,-7.42,;3.55,-7.4,;4.88,-8.18,;6.35,-7.71,)| Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437389
(CHEMBL3037925)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(30.36,-37.13,;31.13,-35.8,;32.67,-35.8,;30.36,-34.46,;28.82,-34.46,;28.05,-33.12,;26.5,-33.12,;25.74,-34.46,;26.51,-35.79,;28.05,-35.79,;24.21,-34.46,;23.44,-35.8,;21.9,-35.8,;21.13,-34.47,;21.89,-33.14,;23.43,-33.13,;19.6,-34.47,;18.82,-33.13,;17.28,-33.13,;16.52,-34.46,;17.29,-35.8,;18.82,-35.8,;14.98,-34.46,;14.07,-35.71,;12.61,-35.23,;11.28,-35.99,;9.95,-35.23,;9.95,-33.69,;11.28,-32.91,;12.61,-33.69,;14.07,-33.22,;8.61,-32.93,;8.61,-31.39,;7.28,-33.7,;7.27,-32.15,)| Show InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)21-10-12-23-24(14-21)33-26(32-23)20-9-11-22(31-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(34)35/h5-12,14-17H,1-4,13H2,(H,32,33)(H,34,35)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437391
(CHEMBL2408632)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437383
(CHEMBL2408623)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1 |r,wU:6.9,3.2,(19.56,-40.23,;20.34,-38.9,;21.88,-38.9,;19.56,-37.56,;20.33,-36.23,;19.56,-34.89,;18.03,-34.91,;17.25,-36.23,;18.02,-37.56,;17.26,-33.57,;15.72,-33.58,;14.94,-32.24,;13.4,-32.25,;12.64,-33.58,;13.41,-34.92,;14.95,-34.91,;11.1,-33.58,;10.32,-32.24,;8.79,-32.25,;8.02,-33.58,;8.79,-34.91,;10.33,-34.91,;6.49,-33.58,;5.58,-34.82,;4.11,-34.35,;2.78,-35.11,;1.45,-34.35,;1.45,-32.81,;.12,-32.04,;.11,-30.5,;-1.22,-29.73,;1.45,-29.73,;.1,-28.96,;2.78,-32.03,;4.11,-32.81,;5.58,-32.33,)| Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)36-18-7-9-20-21(11-18)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-17-5-1-14(2-6-17)24(33)34/h3-4,7-14,17H,1-2,5-6H2,(H,31,32)(H,33,34)/t14-,17+ | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437376
(CHEMBL2408634)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,3.2,(18.34,-7.94,;19.12,-6.61,;20.66,-6.61,;18.34,-5.27,;19.11,-3.93,;18.34,-2.59,;16.81,-2.61,;16.03,-3.94,;16.8,-5.26,;16.03,-1.28,;14.49,-1.29,;13.71,.06,;12.18,.05,;11.42,-1.29,;12.19,-2.62,;13.72,-2.62,;9.88,-1.29,;9.1,.06,;7.57,.05,;6.8,-1.28,;7.57,-2.62,;9.11,-2.62,;5.26,-1.28,;4.36,-.04,;2.89,-.51,;1.56,.26,;.23,-.51,;.23,-2.05,;1.56,-2.82,;2.89,-2.06,;4.36,-2.53,)| Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437390
(CHEMBL2408633)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437386
(CHEMBL2408620)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(42.85,-23.43,;43.62,-22.1,;45.16,-22.1,;42.85,-20.75,;43.62,-19.42,;42.85,-18.08,;41.32,-18.1,;40.54,-19.42,;41.31,-20.75,;40.54,-16.77,;39,-16.77,;38.22,-15.43,;36.69,-15.44,;35.92,-16.77,;36.69,-18.11,;38.23,-18.11,;34.39,-16.77,;33.61,-15.43,;32.08,-15.44,;31.31,-16.77,;32.08,-18.11,;33.62,-18.11,;29.77,-16.77,;28.87,-15.52,;27.4,-16,;26.07,-15.22,;24.74,-16,;23.41,-15.23,;24.74,-17.54,;23.41,-18.31,;26.07,-18.3,;27.4,-17.54,;28.87,-18.02,)| Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437392
(CHEMBL2408631)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437383
(CHEMBL2408623)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1 |r,wU:6.9,3.2,(19.56,-40.23,;20.34,-38.9,;21.88,-38.9,;19.56,-37.56,;20.33,-36.23,;19.56,-34.89,;18.03,-34.91,;17.25,-36.23,;18.02,-37.56,;17.26,-33.57,;15.72,-33.58,;14.94,-32.24,;13.4,-32.25,;12.64,-33.58,;13.41,-34.92,;14.95,-34.91,;11.1,-33.58,;10.32,-32.24,;8.79,-32.25,;8.02,-33.58,;8.79,-34.91,;10.33,-34.91,;6.49,-33.58,;5.58,-34.82,;4.11,-34.35,;2.78,-35.11,;1.45,-34.35,;1.45,-32.81,;.12,-32.04,;.11,-30.5,;-1.22,-29.73,;1.45,-29.73,;.1,-28.96,;2.78,-32.03,;4.11,-32.81,;5.58,-32.33,)| Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)36-18-7-9-20-21(11-18)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-17-5-1-14(2-6-17)24(33)34/h3-4,7-14,17H,1-2,5-6H2,(H,31,32)(H,33,34)/t14-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437375
(CHEMBL2408635)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,wD:3.2,(39.03,-7.93,;39.8,-6.59,;41.34,-6.6,;39.02,-5.25,;39.79,-3.92,;39.02,-2.58,;37.49,-2.6,;36.72,-3.92,;37.48,-5.25,;36.72,-1.27,;35.18,-1.27,;34.4,.07,;32.86,.06,;32.1,-1.27,;32.87,-2.61,;34.41,-2.61,;30.56,-1.27,;29.79,.07,;28.25,.06,;27.48,-1.27,;28.25,-2.61,;29.79,-2.61,;25.95,-1.27,;25.04,-.02,;23.57,-.5,;22.24,.28,;20.91,-.5,;20.91,-2.04,;22.24,-2.8,;23.57,-2.04,;25.04,-2.52,)| Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437384
(CHEMBL2408622)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,wD:3.2,(44.1,-31.71,;44.87,-30.37,;46.41,-30.37,;44.1,-29.03,;44.87,-27.7,;44.1,-26.36,;42.56,-26.38,;41.79,-27.7,;42.56,-29.03,;41.79,-25.04,;40.25,-25.05,;39.47,-23.71,;37.93,-23.72,;37.17,-25.05,;37.94,-26.39,;39.48,-26.38,;35.64,-25.05,;34.86,-23.71,;33.32,-23.72,;32.56,-25.05,;33.33,-26.38,;34.86,-26.38,;31.02,-25.05,;30.11,-26.29,;28.65,-25.82,;27.32,-26.58,;25.99,-25.82,;25.99,-24.28,;27.32,-23.5,;28.65,-24.28,;30.11,-23.8,;24.65,-23.51,;23.32,-22.75,)| Show InChI InChI=1S/C25H21N5O3/c26-12-15-1-8-21-22(11-15)30-24(29-21)18-4-9-20(27-14-18)17-5-10-23(28-13-17)33-19-6-2-16(3-7-19)25(31)32/h1,4-5,8-11,13-14,16,19H,2-3,6-7H2,(H,29,30)(H,31,32)/t16-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437373
(CHEMBL2408471)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(41.17,-15.73,;41.94,-14.39,;43.48,-14.4,;41.17,-13.05,;41.94,-11.72,;41.17,-10.38,;39.63,-10.4,;38.86,-11.72,;39.63,-13.05,;38.86,-9.07,;37.32,-9.07,;36.54,-7.73,;35.01,-7.74,;34.24,-9.07,;35.01,-10.41,;36.55,-10.41,;32.71,-9.07,;31.93,-7.73,;30.39,-7.74,;29.63,-9.07,;30.4,-10.41,;31.94,-10.41,;28.09,-9.07,;27.19,-10.32,;25.72,-9.84,;24.39,-10.6,;23.06,-9.84,;23.06,-8.3,;21.72,-7.53,;24.39,-7.52,;25.72,-8.3,;27.19,-7.82,)| Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437376
(CHEMBL2408634)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,3.2,(18.34,-7.94,;19.12,-6.61,;20.66,-6.61,;18.34,-5.27,;19.11,-3.93,;18.34,-2.59,;16.81,-2.61,;16.03,-3.94,;16.8,-5.26,;16.03,-1.28,;14.49,-1.29,;13.71,.06,;12.18,.05,;11.42,-1.29,;12.19,-2.62,;13.72,-2.62,;9.88,-1.29,;9.1,.06,;7.57,.05,;6.8,-1.28,;7.57,-2.62,;9.11,-2.62,;5.26,-1.28,;4.36,-.04,;2.89,-.51,;1.56,.26,;.23,-.51,;.23,-2.05,;1.56,-2.82,;2.89,-2.06,;4.36,-2.53,)| Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437378
(CHEMBL2408628)Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:22.24,25.31,(.58,-45.14,;.59,-46.68,;1.92,-47.44,;1.92,-48.99,;3.25,-49.75,;4.58,-48.99,;6.05,-49.46,;6.95,-48.22,;6.05,-46.97,;4.58,-47.44,;3.25,-46.67,;8.49,-48.22,;9.26,-46.89,;10.79,-46.88,;11.57,-48.22,;10.8,-49.55,;9.26,-49.55,;13.1,-48.22,;13.87,-46.89,;15.4,-46.88,;16.18,-48.22,;17.72,-48.21,;18.5,-49.54,;20.03,-49.53,;20.8,-50.86,;20.03,-52.2,;18.49,-52.2,;17.72,-50.87,;20.8,-53.54,;20.03,-54.87,;22.34,-53.54,;15.41,-49.55,;13.87,-49.55,)| Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17+ | 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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437375
(CHEMBL2408635)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,wD:3.2,(39.03,-7.93,;39.8,-6.59,;41.34,-6.6,;39.02,-5.25,;39.79,-3.92,;39.02,-2.58,;37.49,-2.6,;36.72,-3.92,;37.48,-5.25,;36.72,-1.27,;35.18,-1.27,;34.4,.07,;32.86,.06,;32.1,-1.27,;32.87,-2.61,;34.41,-2.61,;30.56,-1.27,;29.79,.07,;28.25,.06,;27.48,-1.27,;28.25,-2.61,;29.79,-2.61,;25.95,-1.27,;25.04,-.02,;23.57,-.5,;22.24,.28,;20.91,-.5,;20.91,-2.04,;22.24,-2.8,;23.57,-2.04,;25.04,-2.52,)| Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437378
(CHEMBL2408628)Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:22.24,25.31,(.58,-45.14,;.59,-46.68,;1.92,-47.44,;1.92,-48.99,;3.25,-49.75,;4.58,-48.99,;6.05,-49.46,;6.95,-48.22,;6.05,-46.97,;4.58,-47.44,;3.25,-46.67,;8.49,-48.22,;9.26,-46.89,;10.79,-46.88,;11.57,-48.22,;10.8,-49.55,;9.26,-49.55,;13.1,-48.22,;13.87,-46.89,;15.4,-46.88,;16.18,-48.22,;17.72,-48.21,;18.5,-49.54,;20.03,-49.53,;20.8,-50.86,;20.03,-52.2,;18.49,-52.2,;17.72,-50.87,;20.8,-53.54,;20.03,-54.87,;22.34,-53.54,;15.41,-49.55,;13.87,-49.55,)| Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437377
(CHEMBL2408629)Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:22.24,wD:25.31,(24.23,-45.19,;24.23,-46.73,;25.57,-47.5,;25.57,-49.04,;26.89,-49.8,;28.22,-49.04,;29.69,-49.52,;30.6,-48.27,;29.69,-47.02,;28.22,-47.5,;26.89,-46.72,;32.14,-48.27,;32.9,-46.94,;34.44,-46.93,;35.21,-48.27,;34.44,-49.61,;32.9,-49.61,;36.75,-48.27,;37.51,-46.94,;39.05,-46.93,;39.83,-48.27,;41.37,-48.27,;42.14,-49.6,;43.67,-49.58,;44.44,-50.92,;43.67,-52.25,;42.13,-52.25,;41.37,-50.92,;44.45,-53.6,;43.68,-54.93,;45.99,-53.6,;39.06,-49.61,;37.52,-49.61,)| Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437377
(CHEMBL2408629)Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:22.24,wD:25.31,(24.23,-45.19,;24.23,-46.73,;25.57,-47.5,;25.57,-49.04,;26.89,-49.8,;28.22,-49.04,;29.69,-49.52,;30.6,-48.27,;29.69,-47.02,;28.22,-47.5,;26.89,-46.72,;32.14,-48.27,;32.9,-46.94,;34.44,-46.93,;35.21,-48.27,;34.44,-49.61,;32.9,-49.61,;36.75,-48.27,;37.51,-46.94,;39.05,-46.93,;39.83,-48.27,;41.37,-48.27,;42.14,-49.6,;43.67,-49.58,;44.44,-50.92,;43.67,-52.25,;42.13,-52.25,;41.37,-50.92,;44.45,-53.6,;43.68,-54.93,;45.99,-53.6,;39.06,-49.61,;37.52,-49.61,)| Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17- | 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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437380
(CHEMBL2408626)Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:21.23,24.30,(.81,-39.8,;2.15,-40.56,;2.15,-42.1,;3.48,-42.86,;4.8,-42.1,;6.27,-42.58,;7.18,-41.33,;6.27,-40.09,;4.8,-40.56,;3.48,-39.78,;8.72,-41.33,;9.48,-40,;11.02,-40,;11.79,-41.34,;11.02,-42.67,;9.48,-42.67,;13.33,-41.34,;14.09,-40,;15.63,-40,;16.41,-41.33,;17.95,-41.33,;18.72,-42.66,;20.26,-42.64,;21.03,-43.98,;20.26,-45.32,;18.71,-45.31,;17.95,-43.99,;21.03,-46.66,;20.26,-47.99,;22.57,-46.66,;15.64,-42.67,;14.1,-42.67,)| Show InChI InChI=1S/C24H23N5O3/c1-14-2-9-20-23(27-14)29-22(28-20)17-5-10-19(25-13-17)16-6-11-21(26-12-16)32-18-7-3-15(4-8-18)24(30)31/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,30,31)(H,27,28,29)/t15-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437385
(CHEMBL2408621)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,3.2,(19.65,-30.15,;20.42,-28.82,;21.96,-28.82,;19.65,-27.48,;20.42,-26.15,;19.65,-24.81,;18.11,-24.83,;17.34,-26.15,;18.11,-27.48,;17.34,-23.49,;15.8,-23.5,;15.02,-22.16,;13.48,-22.17,;12.72,-23.5,;13.49,-24.83,;15.03,-24.83,;11.19,-23.5,;10.41,-22.16,;8.87,-22.17,;8.11,-23.5,;8.88,-24.83,;10.42,-24.83,;6.57,-23.5,;5.66,-24.74,;4.2,-24.27,;2.87,-25.03,;1.54,-24.27,;1.54,-22.73,;2.87,-21.95,;4.2,-22.73,;5.66,-22.25,;.2,-21.96,;-1.14,-21.19,)| Show InChI InChI=1S/C25H21N5O3/c26-12-15-1-8-21-22(11-15)30-24(29-21)18-4-9-20(27-14-18)17-5-10-23(28-13-17)33-19-6-2-16(3-7-19)25(31)32/h1,4-5,8-11,13-14,16,19H,2-3,6-7H2,(H,29,30)(H,31,32)/t16-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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 mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437379
(CHEMBL2408627)Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:21.23,wD:24.30,(23.65,-38.67,;24.99,-39.43,;24.99,-40.97,;26.32,-41.74,;27.65,-40.98,;29.12,-41.45,;30.02,-40.21,;29.12,-38.96,;27.65,-39.43,;26.32,-38.66,;31.56,-40.2,;32.32,-38.88,;33.86,-38.87,;34.64,-40.21,;33.87,-41.54,;32.33,-41.54,;36.17,-40.21,;36.94,-38.88,;38.47,-38.87,;39.25,-40.21,;40.79,-40.2,;41.57,-41.53,;43.1,-41.51,;43.87,-42.85,;43.1,-44.19,;41.56,-44.19,;40.79,-42.86,;43.87,-45.53,;43.1,-46.86,;45.41,-45.53,;38.48,-41.54,;36.94,-41.54,)| Show InChI InChI=1S/C24H23N5O3/c1-14-2-9-20-23(27-14)29-22(28-20)17-5-10-19(25-13-17)16-6-11-21(26-12-16)32-18-7-3-15(4-8-18)24(30)31/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,30,31)(H,27,28,29)/t15-,18- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437380
(CHEMBL2408626)Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:21.23,24.30,(.81,-39.8,;2.15,-40.56,;2.15,-42.1,;3.48,-42.86,;4.8,-42.1,;6.27,-42.58,;7.18,-41.33,;6.27,-40.09,;4.8,-40.56,;3.48,-39.78,;8.72,-41.33,;9.48,-40,;11.02,-40,;11.79,-41.34,;11.02,-42.67,;9.48,-42.67,;13.33,-41.34,;14.09,-40,;15.63,-40,;16.41,-41.33,;17.95,-41.33,;18.72,-42.66,;20.26,-42.64,;21.03,-43.98,;20.26,-45.32,;18.71,-45.31,;17.95,-43.99,;21.03,-46.66,;20.26,-47.99,;22.57,-46.66,;15.64,-42.67,;14.1,-42.67,)| Show InChI InChI=1S/C24H23N5O3/c1-14-2-9-20-23(27-14)29-22(28-20)17-5-10-19(25-13-17)16-6-11-21(26-12-16)32-18-7-3-15(4-8-18)24(30)31/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,30,31)(H,27,28,29)/t15-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437384
(CHEMBL2408622)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,wD:3.2,(44.1,-31.71,;44.87,-30.37,;46.41,-30.37,;44.1,-29.03,;44.87,-27.7,;44.1,-26.36,;42.56,-26.38,;41.79,-27.7,;42.56,-29.03,;41.79,-25.04,;40.25,-25.05,;39.47,-23.71,;37.93,-23.72,;37.17,-25.05,;37.94,-26.39,;39.48,-26.38,;35.64,-25.05,;34.86,-23.71,;33.32,-23.72,;32.56,-25.05,;33.33,-26.38,;34.86,-26.38,;31.02,-25.05,;30.11,-26.29,;28.65,-25.82,;27.32,-26.58,;25.99,-25.82,;25.99,-24.28,;27.32,-23.5,;28.65,-24.28,;30.11,-23.8,;24.65,-23.51,;23.32,-22.75,)| Show InChI InChI=1S/C25H21N5O3/c26-12-15-1-8-21-22(11-15)30-24(29-21)18-4-9-20(27-14-18)17-5-10-23(28-13-17)33-19-6-2-16(3-7-19)25(31)32/h1,4-5,8-11,13-14,16,19H,2-3,6-7H2,(H,29,30)(H,31,32)/t16-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437382
(CHEMBL2408624)Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:24.26,27.33,(23.63,-29.94,;23.63,-31.48,;22.85,-32.81,;22.09,-31.47,;24.97,-32.25,;24.97,-33.79,;26.3,-34.55,;27.63,-33.79,;29.09,-34.27,;30,-33.02,;29.09,-31.77,;27.63,-32.25,;26.3,-31.47,;31.54,-33.02,;32.3,-31.69,;33.84,-31.68,;34.62,-33.02,;33.84,-34.36,;32.31,-34.36,;36.15,-33.02,;36.91,-31.69,;38.45,-31.68,;39.23,-33.02,;40.77,-33.02,;41.54,-34.35,;43.08,-34.33,;43.85,-35.67,;43.08,-37,;41.54,-37,;40.77,-35.67,;43.85,-38.34,;43.08,-39.68,;45.39,-38.35,;38.46,-34.36,;36.92,-34.36,)| Show InChI InChI=1S/C25H24N4O5S/c1-35(32,33)19-8-10-21-22(12-19)29-24(28-21)17-4-9-20(26-14-17)16-5-11-23(27-13-16)34-18-6-2-15(3-7-18)25(30)31/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)/t15-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437381
(CHEMBL2408625)Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:24.26,wD:27.33,(48.42,-30.59,;48.42,-32.13,;47.64,-33.46,;46.88,-32.12,;49.76,-32.9,;49.76,-34.44,;51.08,-35.2,;52.41,-34.44,;53.88,-34.92,;54.79,-33.67,;53.88,-32.42,;52.41,-32.9,;51.08,-32.12,;56.32,-33.67,;57.09,-32.34,;58.63,-32.34,;59.4,-33.67,;58.63,-35.01,;57.09,-35.01,;60.94,-33.67,;61.7,-32.34,;63.24,-32.34,;64.02,-33.67,;65.56,-33.67,;66.33,-35,;67.86,-34.98,;68.63,-36.32,;67.86,-37.66,;66.32,-37.65,;65.56,-36.32,;68.64,-39,;67.87,-40.33,;70.18,-39,;63.25,-35.01,;61.71,-35.01,)| Show InChI InChI=1S/C25H24N4O5S/c1-35(32,33)19-8-10-21-22(12-19)29-24(28-21)17-4-9-20(26-14-17)16-5-11-23(27-13-16)34-18-6-2-15(3-7-18)25(30)31/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)/t15-,18- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437379
(CHEMBL2408627)Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:21.23,wD:24.30,(23.65,-38.67,;24.99,-39.43,;24.99,-40.97,;26.32,-41.74,;27.65,-40.98,;29.12,-41.45,;30.02,-40.21,;29.12,-38.96,;27.65,-39.43,;26.32,-38.66,;31.56,-40.2,;32.32,-38.88,;33.86,-38.87,;34.64,-40.21,;33.87,-41.54,;32.33,-41.54,;36.17,-40.21,;36.94,-38.88,;38.47,-38.87,;39.25,-40.21,;40.79,-40.2,;41.57,-41.53,;43.1,-41.51,;43.87,-42.85,;43.1,-44.19,;41.56,-44.19,;40.79,-42.86,;43.87,-45.53,;43.1,-46.86,;45.41,-45.53,;38.48,-41.54,;36.94,-41.54,)| Show InChI InChI=1S/C24H23N5O3/c1-14-2-9-20-23(27-14)29-22(28-20)17-5-10-19(25-13-17)16-6-11-21(26-12-16)32-18-7-3-15(4-8-18)24(30)31/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,30,31)(H,27,28,29)/t15-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437388
(CHEMBL3037924)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)| Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437389
(CHEMBL3037925)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(30.36,-37.13,;31.13,-35.8,;32.67,-35.8,;30.36,-34.46,;28.82,-34.46,;28.05,-33.12,;26.5,-33.12,;25.74,-34.46,;26.51,-35.79,;28.05,-35.79,;24.21,-34.46,;23.44,-35.8,;21.9,-35.8,;21.13,-34.47,;21.89,-33.14,;23.43,-33.13,;19.6,-34.47,;18.82,-33.13,;17.28,-33.13,;16.52,-34.46,;17.29,-35.8,;18.82,-35.8,;14.98,-34.46,;14.07,-35.71,;12.61,-35.23,;11.28,-35.99,;9.95,-35.23,;9.95,-33.69,;11.28,-32.91,;12.61,-33.69,;14.07,-33.22,;8.61,-32.93,;8.61,-31.39,;7.28,-33.7,;7.27,-32.15,)| Show InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)21-10-12-23-24(14-21)33-26(32-23)20-9-11-22(31-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(34)35/h5-12,14-17H,1-4,13H2,(H,32,33)(H,34,35)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437382
(CHEMBL2408624)Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:24.26,27.33,(23.63,-29.94,;23.63,-31.48,;22.85,-32.81,;22.09,-31.47,;24.97,-32.25,;24.97,-33.79,;26.3,-34.55,;27.63,-33.79,;29.09,-34.27,;30,-33.02,;29.09,-31.77,;27.63,-32.25,;26.3,-31.47,;31.54,-33.02,;32.3,-31.69,;33.84,-31.68,;34.62,-33.02,;33.84,-34.36,;32.31,-34.36,;36.15,-33.02,;36.91,-31.69,;38.45,-31.68,;39.23,-33.02,;40.77,-33.02,;41.54,-34.35,;43.08,-34.33,;43.85,-35.67,;43.08,-37,;41.54,-37,;40.77,-35.67,;43.85,-38.34,;43.08,-39.68,;45.39,-38.35,;38.46,-34.36,;36.92,-34.36,)| Show InChI InChI=1S/C25H24N4O5S/c1-35(32,33)19-8-10-21-22(12-19)29-24(28-21)17-4-9-20(26-14-17)16-5-11-23(27-13-16)34-18-6-2-15(3-7-18)25(30)31/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)/t15-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437381
(CHEMBL2408625)Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:24.26,wD:27.33,(48.42,-30.59,;48.42,-32.13,;47.64,-33.46,;46.88,-32.12,;49.76,-32.9,;49.76,-34.44,;51.08,-35.2,;52.41,-34.44,;53.88,-34.92,;54.79,-33.67,;53.88,-32.42,;52.41,-32.9,;51.08,-32.12,;56.32,-33.67,;57.09,-32.34,;58.63,-32.34,;59.4,-33.67,;58.63,-35.01,;57.09,-35.01,;60.94,-33.67,;61.7,-32.34,;63.24,-32.34,;64.02,-33.67,;65.56,-33.67,;66.33,-35,;67.86,-34.98,;68.63,-36.32,;67.86,-37.66,;66.32,-37.65,;65.56,-36.32,;68.64,-39,;67.87,-40.33,;70.18,-39,;63.25,-35.01,;61.71,-35.01,)| Show InChI InChI=1S/C25H24N4O5S/c1-35(32,33)19-8-10-21-22(12-19)29-24(28-21)17-4-9-20(26-14-17)16-5-11-23(27-13-16)34-18-6-2-15(3-7-18)25(30)31/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)/t15-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 727 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437383
(CHEMBL2408623)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1 |r,wU:6.9,3.2,(19.56,-40.23,;20.34,-38.9,;21.88,-38.9,;19.56,-37.56,;20.33,-36.23,;19.56,-34.89,;18.03,-34.91,;17.25,-36.23,;18.02,-37.56,;17.26,-33.57,;15.72,-33.58,;14.94,-32.24,;13.4,-32.25,;12.64,-33.58,;13.41,-34.92,;14.95,-34.91,;11.1,-33.58,;10.32,-32.24,;8.79,-32.25,;8.02,-33.58,;8.79,-34.91,;10.33,-34.91,;6.49,-33.58,;5.58,-34.82,;4.11,-34.35,;2.78,-35.11,;1.45,-34.35,;1.45,-32.81,;.12,-32.04,;.11,-30.5,;-1.22,-29.73,;1.45,-29.73,;.1,-28.96,;2.78,-32.03,;4.11,-32.81,;5.58,-32.33,)| Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)36-18-7-9-20-21(11-18)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-17-5-1-14(2-6-17)24(33)34/h3-4,7-14,17H,1-2,5-6H2,(H,31,32)(H,33,34)/t14-,17+ | PDB
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| n/a | n/a | 772 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437393
(CHEMBL2408630)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18+ | PDB
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| 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 human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437392
(CHEMBL2408631)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18- | PDB
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| n/a | n/a | 1.23E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437390
(CHEMBL2408633)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18- | PDB
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| Article
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| n/a | n/a | 1.34E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437378
(CHEMBL2408628)Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:22.24,25.31,(.58,-45.14,;.59,-46.68,;1.92,-47.44,;1.92,-48.99,;3.25,-49.75,;4.58,-48.99,;6.05,-49.46,;6.95,-48.22,;6.05,-46.97,;4.58,-47.44,;3.25,-46.67,;8.49,-48.22,;9.26,-46.89,;10.79,-46.88,;11.57,-48.22,;10.8,-49.55,;9.26,-49.55,;13.1,-48.22,;13.87,-46.89,;15.4,-46.88,;16.18,-48.22,;17.72,-48.21,;18.5,-49.54,;20.03,-49.53,;20.8,-50.86,;20.03,-52.2,;18.49,-52.2,;17.72,-50.87,;20.8,-53.54,;20.03,-54.87,;22.34,-53.54,;15.41,-49.55,;13.87,-49.55,)| Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17+ | PDB
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| n/a | n/a | 2.48E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437391
(CHEMBL2408632)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+ | PDB
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| n/a | n/a | 3.53E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437377
(CHEMBL2408629)Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:22.24,wD:25.31,(24.23,-45.19,;24.23,-46.73,;25.57,-47.5,;25.57,-49.04,;26.89,-49.8,;28.22,-49.04,;29.69,-49.52,;30.6,-48.27,;29.69,-47.02,;28.22,-47.5,;26.89,-46.72,;32.14,-48.27,;32.9,-46.94,;34.44,-46.93,;35.21,-48.27,;34.44,-49.61,;32.9,-49.61,;36.75,-48.27,;37.51,-46.94,;39.05,-46.93,;39.83,-48.27,;41.37,-48.27,;42.14,-49.6,;43.67,-49.58,;44.44,-50.92,;43.67,-52.25,;42.13,-52.25,;41.37,-50.92,;44.45,-53.6,;43.68,-54.93,;45.99,-53.6,;39.06,-49.61,;37.52,-49.61,)| Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17- | PDB
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| n/a | n/a | 4.90E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437375
(CHEMBL2408635)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,wD:3.2,(39.03,-7.93,;39.8,-6.59,;41.34,-6.6,;39.02,-5.25,;39.79,-3.92,;39.02,-2.58,;37.49,-2.6,;36.72,-3.92,;37.48,-5.25,;36.72,-1.27,;35.18,-1.27,;34.4,.07,;32.86,.06,;32.1,-1.27,;32.87,-2.61,;34.41,-2.61,;30.56,-1.27,;29.79,.07,;28.25,.06,;27.48,-1.27,;28.25,-2.61,;29.79,-2.61,;25.95,-1.27,;25.04,-.02,;23.57,-.5,;22.24,.28,;20.91,-.5,;20.91,-2.04,;22.24,-2.8,;23.57,-2.04,;25.04,-2.52,)| Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18- | PDB
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| n/a | n/a | 6.07E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437376
(CHEMBL2408634)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,3.2,(18.34,-7.94,;19.12,-6.61,;20.66,-6.61,;18.34,-5.27,;19.11,-3.93,;18.34,-2.59,;16.81,-2.61,;16.03,-3.94,;16.8,-5.26,;16.03,-1.28,;14.49,-1.29,;13.71,.06,;12.18,.05,;11.42,-1.29,;12.19,-2.62,;13.72,-2.62,;9.88,-1.29,;9.1,.06,;7.57,.05,;6.8,-1.28,;7.57,-2.62,;9.11,-2.62,;5.26,-1.28,;4.36,-.04,;2.89,-.51,;1.56,.26,;.23,-.51,;.23,-2.05,;1.56,-2.82,;2.89,-2.06,;4.36,-2.53,)| Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18+ | PDB
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| n/a | n/a | 8.08E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437386
(CHEMBL2408620)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(42.85,-23.43,;43.62,-22.1,;45.16,-22.1,;42.85,-20.75,;43.62,-19.42,;42.85,-18.08,;41.32,-18.1,;40.54,-19.42,;41.31,-20.75,;40.54,-16.77,;39,-16.77,;38.22,-15.43,;36.69,-15.44,;35.92,-16.77,;36.69,-18.11,;38.23,-18.11,;34.39,-16.77,;33.61,-15.43,;32.08,-15.44,;31.31,-16.77,;32.08,-18.11,;33.62,-18.11,;29.77,-16.77,;28.87,-15.52,;27.4,-16,;26.07,-15.22,;24.74,-16,;23.41,-15.23,;24.74,-17.54,;23.41,-18.31,;26.07,-18.3,;27.4,-17.54,;28.87,-18.02,)| Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16- | PDB
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| n/a | n/a | 8.44E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437379
(CHEMBL2408627)Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:21.23,wD:24.30,(23.65,-38.67,;24.99,-39.43,;24.99,-40.97,;26.32,-41.74,;27.65,-40.98,;29.12,-41.45,;30.02,-40.21,;29.12,-38.96,;27.65,-39.43,;26.32,-38.66,;31.56,-40.2,;32.32,-38.88,;33.86,-38.87,;34.64,-40.21,;33.87,-41.54,;32.33,-41.54,;36.17,-40.21,;36.94,-38.88,;38.47,-38.87,;39.25,-40.21,;40.79,-40.2,;41.57,-41.53,;43.1,-41.51,;43.87,-42.85,;43.1,-44.19,;41.56,-44.19,;40.79,-42.86,;43.87,-45.53,;43.1,-46.86,;45.41,-45.53,;38.48,-41.54,;36.94,-41.54,)| Show InChI InChI=1S/C24H23N5O3/c1-14-2-9-20-23(27-14)29-22(28-20)17-5-10-19(25-13-17)16-6-11-21(26-12-16)32-18-7-3-15(4-8-18)24(30)31/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,30,31)(H,27,28,29)/t15-,18- | PDB
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| n/a | n/a | 8.78E+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 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437382
(CHEMBL2408624)Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:24.26,27.33,(23.63,-29.94,;23.63,-31.48,;22.85,-32.81,;22.09,-31.47,;24.97,-32.25,;24.97,-33.79,;26.3,-34.55,;27.63,-33.79,;29.09,-34.27,;30,-33.02,;29.09,-31.77,;27.63,-32.25,;26.3,-31.47,;31.54,-33.02,;32.3,-31.69,;33.84,-31.68,;34.62,-33.02,;33.84,-34.36,;32.31,-34.36,;36.15,-33.02,;36.91,-31.69,;38.45,-31.68,;39.23,-33.02,;40.77,-33.02,;41.54,-34.35,;43.08,-34.33,;43.85,-35.67,;43.08,-37,;41.54,-37,;40.77,-35.67,;43.85,-38.34,;43.08,-39.68,;45.39,-38.35,;38.46,-34.36,;36.92,-34.36,)| Show InChI InChI=1S/C25H24N4O5S/c1-35(32,33)19-8-10-21-22(12-19)29-24(28-21)17-4-9-20(26-14-17)16-5-11-23(27-13-16)34-18-6-2-15(3-7-18)25(30)31/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)/t15-,18+ | PDB
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| 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 ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437374
(CHEMBL2408470)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,3.2,(20.33,-15.61,;21.11,-14.28,;22.65,-14.28,;20.33,-12.94,;21.1,-11.6,;20.33,-10.26,;18.8,-10.28,;18.03,-11.61,;18.79,-12.93,;18.03,-8.95,;16.49,-8.95,;15.71,-7.62,;14.17,-7.63,;13.41,-8.96,;14.18,-10.29,;15.72,-10.29,;11.87,-8.96,;11.09,-7.62,;9.56,-7.62,;8.79,-8.95,;9.56,-10.29,;11.1,-10.29,;7.26,-8.95,;6.35,-10.2,;4.88,-9.72,;3.55,-10.48,;2.22,-9.72,;2.22,-8.18,;.89,-7.42,;3.55,-7.4,;4.88,-8.18,;6.35,-7.71,)| Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+ | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437385
(CHEMBL2408621)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,3.2,(19.65,-30.15,;20.42,-28.82,;21.96,-28.82,;19.65,-27.48,;20.42,-26.15,;19.65,-24.81,;18.11,-24.83,;17.34,-26.15,;18.11,-27.48,;17.34,-23.49,;15.8,-23.5,;15.02,-22.16,;13.48,-22.17,;12.72,-23.5,;13.49,-24.83,;15.03,-24.83,;11.19,-23.5,;10.41,-22.16,;8.87,-22.17,;8.11,-23.5,;8.88,-24.83,;10.42,-24.83,;6.57,-23.5,;5.66,-24.74,;4.2,-24.27,;2.87,-25.03,;1.54,-24.27,;1.54,-22.73,;2.87,-21.95,;4.2,-22.73,;5.66,-22.25,;.2,-21.96,;-1.14,-21.19,)| Show InChI InChI=1S/C25H21N5O3/c26-12-15-1-8-21-22(11-15)30-24(29-21)18-4-9-20(27-14-18)17-5-10-23(28-13-17)33-19-6-2-16(3-7-19)25(31)32/h1,4-5,8-11,13-14,16,19H,2-3,6-7H2,(H,29,30)(H,31,32)/t16-,19+ | PDB
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| 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 ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437373
(CHEMBL2408471)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(41.17,-15.73,;41.94,-14.39,;43.48,-14.4,;41.17,-13.05,;41.94,-11.72,;41.17,-10.38,;39.63,-10.4,;38.86,-11.72,;39.63,-13.05,;38.86,-9.07,;37.32,-9.07,;36.54,-7.73,;35.01,-7.74,;34.24,-9.07,;35.01,-10.41,;36.55,-10.41,;32.71,-9.07,;31.93,-7.73,;30.39,-7.74,;29.63,-9.07,;30.4,-10.41,;31.94,-10.41,;28.09,-9.07,;27.19,-10.32,;25.72,-9.84,;24.39,-10.6,;23.06,-9.84,;23.06,-8.3,;21.72,-7.53,;24.39,-7.52,;25.72,-8.3,;27.19,-7.82,)| Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18- | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437387
(CHEMBL2408472)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,3.2,(20.49,-23.1,;21.26,-21.77,;22.8,-21.77,;20.49,-20.43,;21.26,-19.09,;20.49,-17.75,;18.95,-17.77,;18.18,-19.1,;18.95,-20.42,;18.18,-16.44,;16.64,-16.44,;15.86,-15.11,;14.32,-15.11,;13.56,-16.45,;14.33,-17.78,;15.87,-17.78,;12.03,-16.45,;11.25,-15.11,;9.71,-15.11,;8.95,-16.44,;9.72,-17.78,;11.26,-17.78,;7.41,-16.44,;6.5,-15.2,;5.04,-15.67,;3.71,-14.89,;2.38,-15.67,;1.04,-14.91,;2.38,-17.21,;1.05,-17.98,;3.71,-17.97,;5.04,-17.21,;6.5,-17.69,)| Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16+ | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437380
(CHEMBL2408626)Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1 |r,wU:21.23,24.30,(.81,-39.8,;2.15,-40.56,;2.15,-42.1,;3.48,-42.86,;4.8,-42.1,;6.27,-42.58,;7.18,-41.33,;6.27,-40.09,;4.8,-40.56,;3.48,-39.78,;8.72,-41.33,;9.48,-40,;11.02,-40,;11.79,-41.34,;11.02,-42.67,;9.48,-42.67,;13.33,-41.34,;14.09,-40,;15.63,-40,;16.41,-41.33,;17.95,-41.33,;18.72,-42.66,;20.26,-42.64,;21.03,-43.98,;20.26,-45.32,;18.71,-45.31,;17.95,-43.99,;21.03,-46.66,;20.26,-47.99,;22.57,-46.66,;15.64,-42.67,;14.1,-42.67,)| Show InChI InChI=1S/C24H23N5O3/c1-14-2-9-20-23(27-14)29-22(28-20)17-5-10-19(25-13-17)16-6-11-21(26-12-16)32-18-7-3-15(4-8-18)24(30)31/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,30,31)(H,27,28,29)/t15-,18+ | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437384
(CHEMBL2408622)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,wD:3.2,(44.1,-31.71,;44.87,-30.37,;46.41,-30.37,;44.1,-29.03,;44.87,-27.7,;44.1,-26.36,;42.56,-26.38,;41.79,-27.7,;42.56,-29.03,;41.79,-25.04,;40.25,-25.05,;39.47,-23.71,;37.93,-23.72,;37.17,-25.05,;37.94,-26.39,;39.48,-26.38,;35.64,-25.05,;34.86,-23.71,;33.32,-23.72,;32.56,-25.05,;33.33,-26.38,;34.86,-26.38,;31.02,-25.05,;30.11,-26.29,;28.65,-25.82,;27.32,-26.58,;25.99,-25.82,;25.99,-24.28,;27.32,-23.5,;28.65,-24.28,;30.11,-23.8,;24.65,-23.51,;23.32,-22.75,)| Show InChI InChI=1S/C25H21N5O3/c26-12-15-1-8-21-22(11-15)30-24(29-21)18-4-9-20(27-14-18)17-5-10-23(28-13-17)33-19-6-2-16(3-7-19)25(31)32/h1,4-5,8-11,13-14,16,19H,2-3,6-7H2,(H,29,30)(H,31,32)/t16-,19- | PDB
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| 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 ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437381
(CHEMBL2408625)Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@@H](CC2)C(O)=O)nc1 |r,wU:24.26,wD:27.33,(48.42,-30.59,;48.42,-32.13,;47.64,-33.46,;46.88,-32.12,;49.76,-32.9,;49.76,-34.44,;51.08,-35.2,;52.41,-34.44,;53.88,-34.92,;54.79,-33.67,;53.88,-32.42,;52.41,-32.9,;51.08,-32.12,;56.32,-33.67,;57.09,-32.34,;58.63,-32.34,;59.4,-33.67,;58.63,-35.01,;57.09,-35.01,;60.94,-33.67,;61.7,-32.34,;63.24,-32.34,;64.02,-33.67,;65.56,-33.67,;66.33,-35,;67.86,-34.98,;68.63,-36.32,;67.86,-37.66,;66.32,-37.65,;65.56,-36.32,;68.64,-39,;67.87,-40.33,;70.18,-39,;63.25,-35.01,;61.71,-35.01,)| Show InChI InChI=1S/C25H24N4O5S/c1-35(32,33)19-8-10-21-22(12-19)29-24(28-21)17-4-9-20(26-14-17)16-5-11-23(27-13-16)34-18-6-2-15(3-7-18)25(30)31/h4-5,8-15,18H,2-3,6-7H2,1H3,(H,28,29)(H,30,31)/t15-,18- | PDB
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| 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 ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this
Ligand-Target Pair | |
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