Found 78 hits with Last Name = 'addie' and Initial = 'ms' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | 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
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Rattus norvegicus (rat)) | 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- | KEGG
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of rat DGAT1 |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385398
(CHEMBL2036730)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14- | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | 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
Reactome pathway
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385439
(CHEMBL2036745)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |r,wU:7.10,wD:4.3,(45.29,-27.64,;44.52,-28.98,;42.98,-28.97,;45.28,-30.31,;46.82,-30.32,;47.6,-31.66,;49.13,-31.66,;49.9,-30.34,;49.14,-29,;47.6,-28.99,;51.43,-30.34,;52.21,-29.01,;53.75,-29.02,;54.51,-30.36,;56.05,-30.37,;56.83,-29.04,;56.07,-27.71,;58.38,-29.05,;58.85,-27.59,;60.38,-27.59,;60.86,-29.05,;62.19,-29.81,;63.52,-29.04,;63.51,-27.5,;64.83,-26.72,;66.18,-27.49,;66.19,-29.03,;64.86,-29.81,;64.86,-31.35,;59.62,-29.96,;53.74,-31.69,;52.2,-31.69,)| Show InChI InChI=1S/C23H23FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-4,9-12,14-15H,5-8,13H2,(H,25,31)(H,26,28)(H,29,30)/t14-,15- | PDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194411
((S)-2,3-dichloro-N-(1-(dimethylamino)-1-oxo-3-phen...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C18H17Cl2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385429
(CHEMBL2036734)Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(c2)-c2ccccc2)o1 Show InChI InChI=1S/C24H22N6O3/c31-22(26-20-9-10-21(25-16-20)30-11-13-32-14-12-30)23-28-29-24(33-23)27-19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385424
(CHEMBL2036596)Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(Oc3ccccc3)c2)o1 Show InChI InChI=1S/C24H22N6O4/c31-22(26-18-9-10-21(25-16-18)30-11-13-32-14-12-30)23-28-29-24(34-23)27-17-5-4-8-20(15-17)33-19-6-2-1-3-7-19/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385412
(CHEMBL2036583)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C20H14FN5O3/c21-15-8-4-5-9-16(15)24-20-26-25-19(29-20)18(27)23-13-10-11-17(22-12-13)28-14-6-2-1-3-7-14/h1-12H,(H,23,27)(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194415
(2,3-dichloro-N-((1R,2R)-1-hydroxy-2,3-dihydro-1H-i...)Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C16H12Cl2N2O2S/c17-12-13-11(23-15(12)18)6-10(19-13)16(22)20-9-5-7-3-1-2-4-8(7)14(9)21/h1-4,6,9,14,19,21H,5H2,(H,20,22)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385425
(CHEMBL2036597)Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(OCc3ccccc3)c2)o1 Show InChI InChI=1S/C25H24N6O4/c32-23(27-20-9-10-22(26-16-20)31-11-13-33-14-12-31)24-29-30-25(35-24)28-19-7-4-8-21(15-19)34-17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,27,32)(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
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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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385415
(CHEMBL2036586)Show InChI InChI=1S/C19H19FN4O2S/c1-2-3-12-27-14-10-8-13(9-11-14)21-17(25)18-23-24-19(26-18)22-16-7-5-4-6-15(16)20/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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UniChem
| Article
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194414
((S)-2-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)sc2[nH]1 Show InChI InChI=1S/C18H18ClN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194420
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C18H17Br2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385403
(CHEMBL2036574)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(nc1)N1CCSCC1 Show InChI InChI=1S/C18H17FN6O2S/c19-13-3-1-2-4-14(13)22-18-24-23-17(27-18)16(26)21-12-5-6-15(20-11-12)25-7-9-28-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194417
((S)-2-bromo-N-(1-(dimethylamino)-1-oxo-3-phenylpro...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)sc2[nH]1 Show InChI InChI=1S/C18H18BrN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385423
(CHEMBL2036595)Show SMILES CCOc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C20H22N6O4/c1-2-29-16-5-3-4-14(12-16)23-20-25-24-19(30-20)18(27)22-15-6-7-17(21-13-15)26-8-10-28-11-9-26/h3-7,12-13H,2,8-11H2,1H3,(H,22,27)(H,23,25) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385440
(CHEMBL2036729)Show SMILES OC(=O)C1CCC(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |(-8.73,-41.91,;-7.96,-43.25,;-8.74,-44.58,;-6.42,-43.26,;-5.64,-41.92,;-4.1,-41.93,;-3.34,-43.27,;-4.11,-44.6,;-5.65,-44.6,;-1.81,-43.28,;-1.03,-41.95,;.51,-41.96,;1.27,-43.3,;2.81,-43.31,;3.59,-41.98,;2.83,-40.64,;5.14,-41.99,;5.61,-40.53,;7.14,-40.52,;7.62,-41.98,;8.95,-42.75,;10.28,-41.97,;10.27,-40.44,;11.59,-39.66,;12.94,-40.42,;12.95,-41.96,;11.62,-42.74,;11.62,-44.28,;6.38,-42.89,;.5,-44.63,;-1.04,-44.62,)| Show InChI InChI=1S/C22H21FN4O4/c23-17-3-1-2-4-18(17)25-22-27-26-20(31-22)19(28)24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)21(29)30/h1-4,9-13,15H,5-8H2,(H,24,28)(H,25,27)(H,29,30) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM24363
(2-chloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)...)Show InChI InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194410
(2,3-dichloro-N-((1R,2R)-6-fluoro-1-hydroxy-2,3-dih...)Show SMILES O[C@H]1[C@@H](Cc2ccc(F)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C16H11Cl2FN2O2S/c17-12-13-11(24-15(12)18)5-10(20-13)16(23)21-9-3-6-1-2-7(19)4-8(6)14(9)22/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50065954
((S)-5-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385411
(CHEMBL2036582)Show InChI InChI=1S/C18H18FN5O3/c1-2-3-10-26-15-9-8-12(11-20-15)21-16(25)17-23-24-18(27-17)22-14-7-5-4-6-13(14)19/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385414
(CHEMBL2036585)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Nc2ccccc2)nc1 Show InChI InChI=1S/C20H15FN6O2/c21-15-8-4-5-9-16(15)25-20-27-26-19(29-20)18(28)24-14-10-11-17(22-12-14)23-13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,28)(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385444
(CHEMBL2036742)Show SMILES OC(=O)Cc1cccc(c1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-18-6-1-2-7-19(18)26-23-28-27-22(32-23)21(31)25-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-20(29)30/h1-12H,13H2,(H,25,31)(H,26,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385437
(CHEMBL2036743)Show SMILES OC(=O)Cc1ccc(cc1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-12H,13H2,(H,25,31)(H,26,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50136437
(5-Chloro-1H-indole-2-carboxylic acid (2-oxo-1,2,3,...)Show InChI InChI=1S/C18H14ClN3O2/c19-12-5-6-14-11(7-12)9-15(20-14)17(23)22-16-8-10-3-1-2-4-13(10)21-18(16)24/h1-7,9,16,20H,8H2,(H,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194418
(2,3-dichloro-N-((1R,2R)-6-chloro-1-hydroxy-2,3-dih...)Show SMILES O[C@H]1[C@@H](Cc2ccc(Cl)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C16H11Cl3N2O2S/c17-7-2-1-6-3-9(14(22)8(6)4-7)21-16(23)10-5-11-13(20-10)12(18)15(19)24-11/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385420
(CHEMBL2036592)Show SMILES Clc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C18H17ClN6O3/c19-12-2-1-3-13(10-12)22-18-24-23-17(28-18)16(26)21-14-4-5-15(20-11-14)25-6-8-27-9-7-25/h1-5,10-11H,6-9H2,(H,21,26)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385409
(CHEMBL2036580)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385400
(CHEMBL2036571)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C18H17FN6O3/c19-13-3-1-2-4-14(13)22-18-24-23-17(28-18)16(26)21-12-5-6-15(20-11-12)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM24361
(2,3-dichloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3...)Show SMILES Clc1sc2cc([nH]c2c1Cl)C(=O)NC1Cc2ccccc2NC1=O Show InChI InChI=1S/C16H11Cl2N3O2S/c17-12-13-11(24-14(12)18)6-10(19-13)16(23)21-9-5-7-3-1-2-4-8(7)20-15(9)22/h1-4,6,9,19H,5H2,(H,20,22)(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385417
(CHEMBL2036588)Show SMILES Fc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C18H17FN6O3/c19-12-2-1-3-13(10-12)22-18-24-23-17(28-18)16(26)21-14-4-5-15(20-11-14)25-6-8-27-9-7-25/h1-5,10-11H,6-9H2,(H,21,26)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385428
(CHEMBL2036733)Show SMILES Cc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C19H20N6O3/c1-13-3-2-4-14(11-13)22-19-24-23-18(28-19)17(26)21-15-5-6-16(20-12-15)25-7-9-27-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,21,26)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385434
(CHEMBL2036739)Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H26ClN5O4/c26-18-5-3-17(4-6-18)25(11-1-2-12-25)23(33)28-24-30-29-22(35-24)21(32)27-19-7-9-20(10-8-19)31-13-15-34-16-14-31/h3-10H,1-2,11-16H2,(H,27,32)(H,28,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385421
(CHEMBL2036593)Show SMILES Clc1ccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C18H17ClN6O3/c19-12-1-3-13(4-2-12)22-18-24-23-17(28-18)16(26)21-14-5-6-15(20-11-14)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385402
(CHEMBL2036573)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C20H20FN5O2/c21-16-6-2-3-7-17(16)23-20-25-24-19(28-20)18(27)22-14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2,(H,22,27)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194423
(2,3-dichloro-N-(2,3-dihydro-1H-inden-2-yl)-4H-thie...)Show InChI InChI=1S/C16H12Cl2N2OS/c17-13-14-12(22-15(13)18)7-11(20-14)16(21)19-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,20H,5-6H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385436
(CHEMBL2036741)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C22H15FN4O4/c23-17-3-1-2-4-18(17)25-22-27-26-20(31-22)19(28)24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)21(29)30/h1-12H,(H,24,28)(H,25,27)(H,29,30) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385445
(CHEMBL2036746)Show InChI InChI=1S/C19H19N5O3/c25-17(18-22-23-19(27-18)21-14-4-2-1-3-5-14)20-15-6-8-16(9-7-15)24-10-12-26-13-11-24/h1-9H,10-13H2,(H,20,25)(H,21,23) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385408
(CHEMBL2036579)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C21H21FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,23,27)(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194412
(2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN...)Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 Show InChI InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385433
(CHEMBL2036738)Show SMILES Clc1ccc(cc1)C1(CCC1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C24H24ClN5O4/c25-17-4-2-16(3-5-17)24(10-1-11-24)22(32)27-23-29-28-21(34-23)20(31)26-18-6-8-19(9-7-18)30-12-14-33-15-13-30/h2-9H,1,10-15H2,(H,26,31)(H,27,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385418
(CHEMBL2036590)Show SMILES Fc1ccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)cc1F Show InChI InChI=1S/C18H16F2N6O3/c19-13-3-1-11(9-14(13)20)23-18-25-24-17(29-18)16(27)22-12-2-4-15(21-10-12)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H,22,27)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385399
(CHEMBL2036569)Show SMILES Cc1cc(NC(=O)c2nnc(Nc3ccccc3F)o2)ccc1N1CCOCC1 Show InChI InChI=1S/C20H20FN5O3/c1-13-12-14(6-7-17(13)26-8-10-28-11-9-26)22-18(27)19-24-25-20(29-19)23-16-5-3-2-4-15(16)21/h2-7,12H,8-11H2,1H3,(H,22,27)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385431
(CHEMBL2036736)Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H18ClN5O4/c21-14-3-1-13(2-4-14)17(27)23-20-25-24-19(30-20)18(28)22-15-5-7-16(8-6-15)26-9-11-29-12-10-26/h1-8H,9-12H2,(H,22,28)(H,23,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, liver form
(Homo sapiens (Human)) | BDBM50194424
((S)-3-chloro-N-(1-(methylamino)-1-oxo-3-phenylprop...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2scc(Cl)c2[nH]1 Show InChI InChI=1S/C17H16ClN3O2S/c1-19-16(22)12(7-10-5-3-2-4-6-10)21-17(23)13-8-14-15(20-13)11(18)9-24-14/h2-6,8-9,12,20H,7H2,1H3,(H,19,22)(H,21,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay |
Bioorg Med Chem Lett 16: 5567-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385413
(CHEMBL2036584)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2cccnc2)nc1 Show InChI InChI=1S/C19H13FN6O3/c20-14-5-1-2-6-15(14)24-19-26-25-18(29-19)17(27)23-12-7-8-16(22-10-12)28-13-4-3-9-21-11-13/h1-11H,(H,23,27)(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385405
(CHEMBL2036576)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1 Show InChI InChI=1S/C19H20FN7O2/c1-26-8-10-27(11-9-26)16-7-6-13(12-21-16)22-17(28)18-24-25-19(29-18)23-15-5-3-2-4-14(15)20/h2-7,12H,8-11H2,1H3,(H,22,28)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385447
(CHEMBL2036568)Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C19H17F2N5O3/c20-13-3-1-2-4-15(13)23-19-25-24-18(29-19)17(27)22-12-5-6-16(14(21)11-12)26-7-9-28-10-8-26/h1-6,11H,7-10H2,(H,22,27)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385432
(CHEMBL2036737)Show SMILES CC(C)(C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O4/c1-23(2,15-3-5-16(24)6-4-15)21(31)26-22-28-27-20(33-22)19(30)25-17-7-9-18(10-8-17)29-11-13-32-14-12-29/h3-10H,11-14H2,1-2H3,(H,25,30)(H,26,28,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation... |
Bioorg Med Chem Lett 22: 3873-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.117
BindingDB Entry DOI: 10.7270/Q2T72JG4 |
More data for this
Ligand-Target Pair | |
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