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Compile Data Set for Download or QSAR

Found 415 hits with Last Name = 'lopez' and Initial = 'l'   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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0.420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083192
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083187
PNG
(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083185
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...)
Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1
Show InChI InChI=1/C15H16ClN3O2/c16-10-5-11(14-12(6-10)17-8-18-14)15(20)21-13-7-19-3-1-9(13)2-4-19/h5-6,8-9,13H,1-4,7H2,(H,17,18)
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9.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/s2
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PubMed
15n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes


J Med Chem 57: 7673-86 (2014)


Article DOI: 10.1021/jm5008853
BindingDB Entry DOI: 10.7270/Q2SQ91ZC
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50105630
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-me...)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105630
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-me...)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)
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54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083175
PNG
(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
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129n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50105651
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-methyl-pipe...)
Show SMILES CN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C14H18N4O/c1-18-7-5-10(6-8-18)17-14(19)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)(H,17,19)
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145n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083189
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
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154n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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158n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083189
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
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167n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1
Show InChI InChI=1/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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168n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083179
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
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185n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083185
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...)
Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1
Show InChI InChI=1/C15H16ClN3O2/c16-10-5-11(14-12(6-10)17-8-18-14)15(20)21-13-7-19-3-1-9(13)2-4-19/h5-6,8-9,13H,1-4,7H2,(H,17,18)
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105651
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-methyl-pipe...)
Show SMILES CN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C14H18N4O/c1-18-7-5-10(6-8-18)17-14(19)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)(H,17,19)
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719n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12
Show InChI InChI=1/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083192
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083187
PNG
(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50105632
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-methyl-piper...)
Show SMILES CN1CCC(CC1)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083179
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12
Show InChI InChI=1/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105632
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-methyl-piper...)
Show SMILES CN1CCC(CC1)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50083175
PNG
(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50080550
PNG
((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
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1.10E+7n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes


J Med Chem 57: 7673-86 (2014)


Article DOI: 10.1021/jm5008853
BindingDB Entry DOI: 10.7270/Q2SQ91ZC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50063895
PNG
(CHEMBL3403631)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1/C24H23ClN2O5/c1-14(2)32-20-6-3-15(9-16(20)12-26)13-31-17-4-5-19-18(10-17)23(25)24-21(11-22(28)29)30-8-7-27(19)24/h3-6,9-10,14,21H,7-8,11,13H2,1-2H3,(H,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50063895
PNG
(CHEMBL3403631)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1/C24H23ClN2O5/c1-14(2)32-20-6-3-15(9-16(20)12-26)13-31-17-4-5-19-18(10-17)23(25)24-21(11-22(28)29)30-8-7-27(19)24/h3-6,9-10,14,21H,7-8,11,13H2,1-2H3,(H,28,29)
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n/an/a 0.230n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50055992
PNG
(CHEMBL3325842)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1F
Show InChI InChI=1S/C20H26FN5O5S/c1-12(2)30-20(27)26-9-7-14(8-10-26)31-19-17(21)18(22-11-23-19)25-15-5-6-16(24-13(15)3)32(4,28)29/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,23,25)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 4332-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.071
BindingDB Entry DOI: 10.7270/Q2C82BZ7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50364559
PNG
(CHEMBL1951032)
Show SMILES COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C
Show InChI InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 4332-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.071
BindingDB Entry DOI: 10.7270/Q2C82BZ7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/s2
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n/an/a 8.50E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353649
PNG
(CHEMBL1829835)
Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353651
PNG
(CHEMBL1829841)
Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353652
PNG
(CHEMBL1829842)
Show SMILES CCCc1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1/C20H21IN2O2/c1-2-3-13-4-6-14(7-5-13)15(11-20(24)25)10-19-22-17-9-8-16(21)12-18(17)23-19/h4-9,12,15H,2-3,10-11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353647
PNG
(CHEMBL1829832)
Show SMILES OC(=O)CC(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353649
PNG
(CHEMBL1829835)
Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353651
PNG
(CHEMBL1829841)
Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50056004
PNG
(CHEMBL3326667)
Show SMILES Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2(C)CC2)c1F)S(C)(=O)=O
Show InChI InChI=1S/C21H25FN4O6S/c1-13-15(4-5-16(25-13)33(3,28)29)31-19-17(22)18(23-12-24-19)30-14-6-10-26(11-7-14)20(27)32-21(2)8-9-21/h4-5,12,14H,6-11H2,1-3H3
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n/an/a 2.34E+4n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 24: 4332-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.071
BindingDB Entry DOI: 10.7270/Q2C82BZ7
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50056004
PNG
(CHEMBL3326667)
Show SMILES Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2(C)CC2)c1F)S(C)(=O)=O
Show InChI InChI=1S/C21H25FN4O6S/c1-13-15(4-5-16(25-13)33(3,28)29)31-19-17(22)18(23-12-24-19)30-14-6-10-26(11-7-14)20(27)32-21(2)8-9-21/h4-5,12,14H,6-11H2,1-3H3
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n/an/a 2.57E+4n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 4332-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.071
BindingDB Entry DOI: 10.7270/Q2C82BZ7
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50353650
PNG
(CHEMBL1829837)
Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1/C18H13Cl2F3N2O2/c19-11-2-4-14-15(8-11)25-16(24-14)6-10(7-17(26)27)9-1-3-13(20)12(5-9)18(21,22)23/h1-5,8,10H,6-7H2,(H,24,25)(H,26,27)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by astemizole assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
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