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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'kato' and Initial = 'as'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
GRIA1


(Homo sapiens (Human))
BDBM50184446
PNG
(CHEMBL3823961)
Show SMILES CCOCCN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S2/c1-2-25-10-9-23(13-6-7-15-17(11-13)27-19(24)22-15)18-21-16(12-26-18)14-5-3-4-8-20-14/h3-8,11-12H,2,9-10H2,1H3,(H,22,24)
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n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184416
PNG
(CHEMBL3822825)
Show SMILES C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184419
PNG
(CHEMBL3823445)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(F)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H13FN4OS/c1-10(11-2-4-14-15(8-11)24-17(23)20-14)13-6-7-22(21-13)16-5-3-12(18)9-19-16/h2-10H,1H3,(H,20,23)/t10-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184444
PNG
(CHEMBL3823394)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184414
PNG
(CHEMBL3823131)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
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n/an/a 70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
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n/an/a 122n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227933
PNG
(CHEMBL77761)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)
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n/an/a 140n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of smooth muscle cell ACAT activity for cells stimulated by cationized LDL.


J Med Chem 29: 1131-3 (1987)


Article DOI: 10.1021/jm00157a002
BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
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n/an/a 147n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184413
PNG
(CHEMBL3823956)
Show SMILES CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H14N6/c1-21(13-5-6-14-12(10-13)11-18-19-14)16-7-9-22(20-16)15-4-2-3-8-17-15/h2-11H,1H3,(H,18,19)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-3 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227908
PNG
(CHEMBL77988)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)
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American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227935
PNG
(CHEMBL75708)
Show SMILES CCCCCCN(CCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C21H36N2O/c1-5-7-9-11-15-23(16-12-10-8-6-2)21(24)22-20-14-13-18(3)17-19(20)4/h13-14,17H,5-12,15-16H2,1-4H3,(H,22,24)
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American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184413
PNG
(CHEMBL3823956)
Show SMILES CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H14N6/c1-21(13-5-6-14-12(10-13)11-18-19-14)16-7-9-22(20-16)15-4-2-3-8-17-15/h2-11H,1H3,(H,18,19)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184414
PNG
(CHEMBL3823131)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227908
PNG
(CHEMBL77988)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)
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American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227910
PNG
(CHEMBL305937)
Show SMILES Cc1ccc(NC(=O)N(CCCCC2CCCCC2)CCCCC2CCCCC2)c(C)c1
Show InChI InChI=1S/C29H48N2O/c1-24-19-20-28(25(2)23-24)30-29(32)31(21-11-9-17-26-13-5-3-6-14-26)22-12-10-18-27-15-7-4-8-16-27/h19-20,23,26-27H,3-18,21-22H2,1-2H3,(H,30,32)
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American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227918
PNG
(CHEMBL75224)
Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C
Show InChI InChI=1S/C24H26N2O/c1-18-14-20(3)23(15-19(18)2)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)
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American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227912
PNG
(CHEMBL75204)
Show SMILES CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H23Cl3N2OS/c1-2-3-4-5-6-9-24(13-14-8-7-10-26-14)19(25)23-18-12-16(21)15(20)11-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)
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n/an/a 484n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 485n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
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n/an/a 615n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 623n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-4 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227931
PNG
(CHEMBL76938)
Show SMILES CCCCCCCCCCN(CCCCCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C29H52N2O/c1-5-7-9-11-13-15-17-19-23-31(24-20-18-16-14-12-10-8-6-2)29(32)30-28-22-21-26(3)25-27(28)4/h21-22,25H,5-20,23-24H2,1-4H3,(H,30,32)
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n/an/a 629n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227921
PNG
(CHEMBL75709)
Show SMILES CCCCCCCN(CCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C23H40N2O/c1-5-7-9-11-13-17-25(18-14-12-10-8-6-2)23(26)24-22-16-15-20(3)19-21(22)4/h15-16,19H,5-14,17-18H2,1-4H3,(H,24,26)
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n/an/a 721n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in Liver microsomes


J Med Chem 29: 1131-3 (1987)


Article DOI: 10.1021/jm00157a002
BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in intestinal microsomes


J Med Chem 29: 1131-3 (1987)


Article DOI: 10.1021/jm00157a002
BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227943
PNG
(CHEMBL76935)
Show SMILES CCCCCN(CCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C19H32N2O/c1-5-7-9-13-21(14-10-8-6-2)19(22)20-18-12-11-16(3)15-17(18)4/h11-12,15H,5-10,13-14H2,1-4H3,(H,20,22)
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n/an/a 952n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ACAT derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227909
PNG
(CHEMBL307505)
Show SMILES CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl3N2OS/c1-18(2,3)6-7-23(11-13-5-4-8-25-13)17(24)22-16-14(20)9-12(19)10-15(16)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)
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n/an/a 976n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227918
PNG
(CHEMBL75224)
Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C
Show InChI InChI=1S/C24H26N2O/c1-18-14-20(3)23(15-19(18)2)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)
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n/an/a 1.08E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ACAT derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 1.09E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in Aorta (homogenate Low-density lipoproteins (LDL)


J Med Chem 29: 1131-3 (1987)


Article DOI: 10.1021/jm00157a002
BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 1.18E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227936
PNG
(CHEMBL73918)
Show SMILES CCCCCCCCN(CCCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C25H44N2O/c1-5-7-9-11-13-15-19-27(20-16-14-12-10-8-6-2)25(28)26-24-18-17-22(3)21-23(24)4/h17-18,21H,5-16,19-20H2,1-4H3,(H,26,28)
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n/an/a 1.31E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227936
PNG
(CHEMBL73918)
Show SMILES CCCCCCCCN(CCCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C25H44N2O/c1-5-7-9-11-13-15-19-27(20-16-14-12-10-8-6-2)25(28)26-24-18-17-22(3)21-23(24)4/h17-18,21H,5-16,19-20H2,1-4H3,(H,26,28)
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n/an/a 1.41E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227907
PNG
(CHEMBL441803)
Show SMILES CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H32N2OS/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)
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n/an/a 1.44E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ACAT derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227902
PNG
(CHEMBL76706)
Show SMILES Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1
Show InChI InChI=1S/C23H24N2O/c1-18-13-14-22(19(2)15-18)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)
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n/an/a 1.71E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184445
PNG
(CHEMBL3824102)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227915
PNG
(CHEMBL421876)
Show SMILES CCCCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C20H26N2O/c1-4-5-13-22(15-18-9-7-6-8-10-18)20(23)21-19-12-11-16(2)14-17(19)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
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n/an/a 1.83E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227933
PNG
(CHEMBL77761)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)
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n/an/a 2.24E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227909
PNG
(CHEMBL307505)
Show SMILES CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl3N2OS/c1-18(2,3)6-7-23(11-13-5-4-8-25-13)17(24)22-16-14(20)9-12(19)10-15(16)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)
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n/an/a 2.62E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184443
PNG
(CHEMBL3824269)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 2.82E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227932
PNG
(CHEMBL77164)
Show SMILES FC(F)(F)c1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C22H19F3N2O/c23-22(24,25)19-12-7-13-20(14-19)26-21(28)27(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,26,28)
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n/an/a 2.86E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184411
PNG
(CHEMBL3823441)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (Human))
BDBM50227937
PNG
(CHEMBL76258)
Show SMILES Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C22H21ClN2O/c1-17-12-13-20(14-21(17)23)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)
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n/an/a 3.01E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227948
PNG
(CHEMBL75596)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C27H24N2O2/c30-27(28-24-16-18-26(19-17-24)31-25-14-8-3-9-15-25)29(20-22-10-4-1-5-11-22)21-23-12-6-2-7-13-23/h1-19H,20-21H2,(H,28,30)
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n/an/a 3.18E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227944
PNG
(CHEMBL77942)
Show SMILES Cc1cc(Cl)ccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H21ClN2O/c1-17-14-20(23)12-13-21(17)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)
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n/an/a 3.28E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50227929
PNG
(CHEMBL419639)
Show SMILES CCCCN(CCCC)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C17H28N2O/c1-5-7-9-19(10-8-6-2)17(20)18-16-12-14(3)11-15(4)13-16/h11-13H,5-10H2,1-4H3,(H,18,20)
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n/an/a 3.54E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


Article DOI: 10.1021/jm00130a016
More data for this
Ligand-Target Pair
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