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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'ahmad' and Initial = 'i'   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334254
PNG
(5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334253
PNG
(3-(4-ethylpiperazin-1-yl)-1-(4-isopropylphenylsulf...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3
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8.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334255
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334259
PNG
(5-Bromo-1-(2-bromobenzenesulfonyl)-3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19Br2N3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-7-6-14(20)12-15(17)18)27(25,26)19-5-3-2-4-16(19)21/h2-7,12-13H,8-11H2,1H3
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10.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334256
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpipe...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21BrFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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10.6n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334260
PNG
(5-Chloro-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpip...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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10.7n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334250
PNG
(1-(3-chlorophenylsulfonyl)-3-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN3O2S/c1-21-9-11-22(12-10-21)19-14-23(18-8-3-2-7-17(18)19)26(24,25)16-6-4-5-15(20)13-16/h2-8,13-14H,9-12H2,1H3
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10.8n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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11.8n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334251
PNG
(1-(2-bromophenylsulfonyl)-3-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H20BrN3O2S/c1-21-10-12-22(13-11-21)18-14-23(17-8-4-2-6-15(17)18)26(24,25)19-9-5-3-7-16(19)20/h2-9,14H,10-13H2,1H3
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15.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334252
PNG
(3-(4-methylpiperazin-1-yl)-1-(phenylsulfonyl)-1H-i...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-20-11-13-21(14-12-20)19-15-22(18-10-6-5-9-17(18)19)25(23,24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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15.9n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334261
PNG
(5-Chloro-1-(2-bromobenzenesulfonyl)-3-(4-ethylpipe...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C20H21BrClN3O2S/c1-2-23-9-11-24(12-10-23)19-14-25(18-8-7-15(22)13-16(18)19)28(26,27)20-6-4-3-5-17(20)21/h3-8,13-14H,2,9-12H2,1H3
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20.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334257
PNG
(5-Bromo-1-(4-isopropylbenzenesulfonyl)-3-(4-methyl...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C22H26BrN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-14-18(23)6-9-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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23.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334266
PNG
(6-Chloro-1-(2-naphthylsulfonyl)-3-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H24ClN3O2S/c1-2-26-11-13-27(14-12-26)24-17-28(23-16-20(25)8-10-22(23)24)31(29,30)21-9-7-18-5-3-4-6-19(18)15-21/h3-10,15-17H,2,11-14H2,1H3
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25.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334258
PNG
(5-Bromo-1-(4-isopropylbenzenesulfonyl)-3-(4-ethylp...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H28BrN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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30.1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334267
PNG
(6-Chloro-1-(2-bromobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-12-14(21)6-7-15(17)18)27(25,26)19-5-3-2-4-16(19)20/h2-7,12-13H,8-11H2,1H3
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30.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334262
PNG
(5-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-ethyl...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H28ClN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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30.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334264
PNG
(6-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-methy...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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55.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334265
PNG
(6-Chloro-1-(2,5-dimethoxybenzenesulfonyl)-3-(4-eth...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1cc(OC)ccc1OC
Show InChI InChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3
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63.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334263
PNG
(6-Chloro-1-(4-methoxybenzenesulfonyl)-3-(4-ethylpi...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
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82.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123025
PNG
(CHEMBL3623231)
Show SMILES NS(=O)(=O)Oc1ccc(CCC(c2ccc(cc2)C#N)n2cncn2)cc1Br
Show InChI InChI=1S/C18H16BrN5O3S/c19-16-9-13(4-8-18(16)27-28(21,25)26)3-7-17(24-12-22-11-23-24)15-5-1-14(10-20)2-6-15/h1-2,4-6,8-9,11-12,17H,3,7H2,(H2,21,25,26)
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n/an/a 0.100n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as substrate after 1 hr by scintillation spectrometry


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123026
PNG
(CHEMBL3623232)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2ccnc2)c(F)c1
Show InChI InChI=1S/C17H14FN5O3S/c18-17-9-16(26-27(20,24)25)6-3-14(17)11-23(22-8-7-21-12-22)15-4-1-13(10-19)2-5-15/h1-9,12H,11H2,(H2,20,24,25)
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n/an/a 0.200n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as substrate after 1 hr by scintillation spectrometry


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50123026
PNG
(CHEMBL3623232)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2ccnc2)c(F)c1
Show InChI InChI=1S/C17H14FN5O3S/c18-17-9-16(26-27(20,24)25)6-3-14(17)11-23(22-8-7-21-12-22)15-4-1-13(10-19)2-5-15/h1-9,12H,11H2,(H2,20,24,25)
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n/an/a 2.5n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S as substrate after 1 hr by scintillation spectrometry


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM24306
PNG
(Letrozole derivative, 40 | {2-bromo-4-[(4-cyanophe...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C16H12BrN5O3S/c17-14-7-13(5-6-15(14)25-26(19,23)24)16(22-10-20-9-21-22)12-3-1-11(8-18)2-4-12/h1-7,9-10,16H,(H2,19,23,24)
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n/an/a 3n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as substrate after 1 hr by scintillation spectrometry


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50398452
PNG
(CHEMBL2179110)
Show SMILES CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C24H30O3/c1-4-5-6-13-27-21-15-17-18-7-8-22(26)24(18,3)12-10-19(17)23(2)11-9-16(25)14-20(21)23/h9,11,14,17-19,21H,4,7-8,10,12-13,15H2,1-3H3/t17-,18-,19-,21+,23+,24-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 30n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50075009
PNG
(1-Ethyl-5-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCn1ccc2cc(ccc12)C(c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C20H18FN3/c1-2-23-11-9-16-13-17(5-8-19(16)23)20(24-12-10-22-14-24)15-3-6-18(21)7-4-15/h3-14,20H,2H2,1H3
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n/an/a 40n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50097366
PNG
(4-((1H-imidazol-1-yl)methyl)-1-nitro-4aH-xanthen-9...)
Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12
Show InChI InChI=1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-11(9-19-8-7-18-10-19)5-6-13(15(16)17)20(22)23/h1-8,10H,9H2
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n/an/a 40n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testosterone by Thompson and Siiteri method


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123152
PNG
(CHEMBL3219600)
Show SMILES COc1ccc2CC\C(=C/c3c[nH]cn3)C(=O)c2c1
Show InChI InChI=1S/C15H14N2O2/c1-19-13-5-4-10-2-3-11(15(18)14(10)7-13)6-12-8-16-9-17-12/h4-9H,2-3H2,1H3,(H,16,17)/b11-6+
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n/an/a 41n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123024
PNG
(CHEMBL3623227)
Show SMILES Fc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H15FN2O/c19-14-6-7-15-16(21-9-8-20-12-21)11-17(22-18(15)10-14)13-4-2-1-3-5-13/h1-10,12,16-17H,11H2
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n/an/a 41n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase using [1,2,6,7-3H] androstenedione as substrate


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50097373
PNG
(4-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-1-c...)
Show SMILES O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
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n/an/a 43n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testosterone by Thompson and Siiteri method


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 51n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testosterone by Thompson and Siiteri method


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123153
PNG
(CHEMBL3623225)
Show SMILES CCn1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
Show InChI InChI=1S/C20H19N3/c1-2-22-14-18(17-10-6-7-11-19(17)22)20(23-13-12-21-15-23)16-8-4-3-5-9-16/h3-15,20H,2H2,1H3
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n/an/a 100n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123016
PNG
(CHEMBL3623214)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](C2=O)n1ccnc1
Show InChI InChI=1S/C22H26N2O2/c1-21-7-5-15(25)11-14(21)3-4-16-17(21)6-8-22(2)18(16)12-19(20(22)26)24-10-9-23-13-24/h5,7,9-11,13,16-19H,3-4,6,8,12H2,1-2H3/t16-,17+,18+,19+,21+,22+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123012
PNG
(CHEMBL3623217)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Sc5ccccc5)C(=O)CC[C@]34C)[C@@H]1C[C@H](C#N)[C@@H]2O
Show InChI InChI=1S/C26H31NO2S/c1-25-13-11-22(28)23(30-17-6-4-3-5-7-17)20(25)9-8-18-19(25)10-12-26(2)21(18)14-16(15-27)24(26)29/h3-7,16,18-19,21,24,29H,8-14H2,1-2H3/t16-,18-,19+,21+,24+,25-,26+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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n/an/a 170n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123017
PNG
(CHEMBL3623213)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](C2=O)n1ccnc1
Show InChI InChI=1S/C22H28N2O2/c1-21-7-5-15(25)11-14(21)3-4-16-17(21)6-8-22(2)18(16)12-19(20(22)26)24-10-9-23-13-24/h9-11,13,16-19H,3-8,12H2,1-2H3/t16-,17+,18+,19+,21+,22+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123023
PNG
(CHEMBL3623226)
Show SMILES Fc1ccc(cc1)C(c1cc2ccccc2o1)n1cncn1
Show InChI InChI=1S/C17H12FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-11,17H
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n/an/a 190n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123019
PNG
(CHEMBL3621226)
Show SMILES CC(=O)[C@@]1(C)CC[C@H]2[C@@H](C=CC3=CC(=O)CC[C@]23C)[C@@H]1CC#N
Show InChI InChI=1S/C20H25NO2/c1-13(22)19(2)10-7-17-16(18(19)8-11-21)5-4-14-12-15(23)6-9-20(14,17)3/h4-5,12,16-18H,6-10H2,1-3H3/t16-,17+,18+,19-,20+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123020
PNG
(CHEMBL3623209)
Show SMILES C[C@@H]1OC(=O)C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C20H30O3/c1-12-19(2)9-7-16-15(17(19)11-18(22)23-12)5-4-13-10-14(21)6-8-20(13,16)3/h4,12,14-17,21H,5-11H2,1-3H3/t12-,14?,15+,16-,17-,19+,20-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50123022
PNG
(CHEMBL169251)
Show SMILES O=C1\C(CCc2ccccc12)=C/c1c[nH]cn1
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)/b11-7-
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n/an/a 260n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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n/an/a 292n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated cAMP accumulation by luminome...


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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n/an/a 310n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated cAMP accumulation by luminome...


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334254
PNG
(5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
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n/an/a 322n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated cAMP accumulation by luminome...


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123021
PNG
(CHEMBL3623208)
Show SMILES CC(=O)[C@@]1(C)CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]1CC#N
Show InChI InChI=1S/C20H27NO2/c1-13(22)19(2)10-7-17-16(18(19)8-11-21)5-4-14-12-15(23)6-9-20(14,17)3/h12,16-18H,4-10H2,1-3H3/t16-,17+,18+,19-,20+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123151
PNG
(CHEMBL3623223)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](CC=C)CC1=CC(=O)C=C[C@]31C
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-15-13-16(23)8-10-21(15,2)18-9-11-22(3)17(20(14)18)6-7-19(22)24/h4,8,10,13-14,17-18,20H,1,5-7,9,11-12H2,2-3H3/t14-,17+,18+,20+,21+,22+/m1/s1
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n/an/a 470n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50123030
PNG
(CHEMBL3623219)
Show SMILES CC[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCC2=CC1=O
Show InChI InChI=1S/C21H30O2/c1-4-13-12-21(3)14(11-18(13)22)5-6-15-16-7-8-19(23)20(16,2)10-9-17(15)21/h11,13,15-17H,4-10,12H2,1-3H3/t13-,15+,16+,17+,20+,21+/m1/s1
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n/an/a 480n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 500n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10027
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...)
Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12
Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
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n/an/a 500n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
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