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Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'brown' and Initial = 'bs'   
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 2B


(Homo sapiens (Human))
BDBM85530
PNG
(Nor-d-fenfluramine | Nor-dexfenfluramine | Norfenf...)
Show SMILES C[C@H](N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1
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27n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85530
PNG
(Nor-d-fenfluramine | Nor-dexfenfluramine | Norfenf...)
Show SMILES C[C@H](N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1
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56n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85598
PNG
(l-norfenfluramine)
Show SMILES C[C@@H](N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/s2
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65n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85598
PNG
(l-norfenfluramine)
Show SMILES C[C@@H](N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/s2
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99n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM85530
PNG
(Nor-d-fenfluramine | Nor-dexfenfluramine | Norfenf...)
Show SMILES C[C@H](N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1
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187n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM85598
PNG
(l-norfenfluramine)
Show SMILES C[C@@H](N)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/s2
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267n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85597
PNG
(CAS_37577-24-5 | NSC_65801 | l-Fenfluramine)
Show SMILES CCN[C@H](C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/s2
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680n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM85597
PNG
(CAS_37577-24-5 | NSC_65801 | l-Fenfluramine)
Show SMILES CCN[C@H](C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/s2
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1.43E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85597
PNG
(CAS_37577-24-5 | NSC_65801 | l-Fenfluramine)
Show SMILES CCN[C@H](C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/s2
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1.62E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85596
PNG
(CAS_3239-45-0 | NSC_65801 | d-Fenfluramine)
Show SMILES CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/s2
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2.08E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85596
PNG
(CAS_3239-45-0 | NSC_65801 | d-Fenfluramine)
Show SMILES CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/s2
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3.92E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 57: 75-81 (2000)


BindingDB Entry DOI: 10.7270/Q2P26WPH
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306163
PNG
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306165
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306165
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306154
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C
Show InChI InChI=1/C27H25N7O2/c1-15-25-27(34-33-15)31-13-24(32-25)22-10-19(12-30-26(22)20-7-8-35-16(20)2)36-14-18(28)9-17-11-29-23-6-4-3-5-21(17)23/h3-8,10-13,18,29H,9,14,28H2,1-2H3,(H,31,33,34)/t18-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306155
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306156
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306157
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306158
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/s2
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306163
PNG
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/s2
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306156
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306157
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306155
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/s2
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306158
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306160
PNG
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1
Show InChI InChI=1/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/s2
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319456
PNG
(1-(1H-indazol-4-yl)-3-((2-(piperidin-1-yl)-6-(trif...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ncc23)c(n1)N1CCCCC1
Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)17-8-7-13(18(27-17)29-9-2-1-3-10-29)11-24-19(30)26-15-5-4-6-16-14(15)12-25-28-16/h4-8,12H,1-3,9-11H2,(H,25,28)(H2,24,26,30)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319471
PNG
(1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl...)
Show SMILES CC(C)(C)CCc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,3)10-9-14-11-16(22(23,24)25)8-7-15(14)12-26-20(30)28-18-5-4-6-19-17(18)13-27-29-19/h4-8,11,13H,9-10,12H2,1-3H3,(H,27,29)(H2,26,28,30)
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319465
PNG
(1-((2-(3,3-dimethylbutyl)-6-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(C)CCc1nc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O/c1-20(2,3)10-9-15-13(7-8-18(27-15)21(22,23)24)11-25-19(30)28-16-5-4-6-17-14(16)12-26-29-17/h4-8,12H,9-11H2,1-3H3,(H,26,29)(H2,25,28,30)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306161
PNG
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/s2
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306161
PNG
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/s2
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319470
PNG
(1-(2-(3-fluoro-3-methylbutyl)-4-(trifluoromethyl)b...)
Show SMILES CC(C)(F)CCc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O/c1-20(2,22)9-8-13-10-15(21(23,24)25)7-6-14(13)11-26-19(30)28-17-4-3-5-18-16(17)12-27-29-18/h3-7,10,12H,8-9,11H2,1-2H3,(H,27,29)(H2,26,28,30)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319464
PNG
(1-(1H-indazol-4-yl)-3-((2-(neopentyloxy)-6-(triflu...)
Show SMILES CC(C)(C)COc1nc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2/c1-19(2,3)11-30-17-12(7-8-16(27-17)20(21,22)23)9-24-18(29)26-14-5-4-6-15-13(14)10-25-28-15/h4-8,10H,9,11H2,1-3H3,(H,25,28)(H2,24,26,29)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50264620
PNG
(CHEMBL518979 | N-(4-tert-Butylphenyl)-1-(3-(triflu...)
Show SMILES CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3N3O/c1-21(2,3)16-6-8-17(9-7-16)27-20(29)15-10-13-28(14-11-15)19-18(22(23,24)25)5-4-12-26-19/h4-10,12H,11,13-14H2,1-3H3,(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/s2
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT2


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319454
PNG
(1-(2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl...)
Show SMILES Cn1ncc2c(NC(=O)NCc3ccc(cc3CCC(C)(C)C)C(F)(F)F)cccc12
Show InChI InChI=1S/C23H27F3N4O/c1-22(2,3)11-10-15-12-17(23(24,25)26)9-8-16(15)13-27-21(31)29-19-6-5-7-20-18(19)14-28-30(20)4/h5-9,12,14H,10-11,13H2,1-4H3,(H2,27,29,31)
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n/an/a 7n/an/an/an/a5.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced effect at pH 5.5


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319467
PNG
(1-(1H-indazol-4-yl)-3-(2-phenethyl-4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ncc23)c(CCc2ccccc2)c1
Show InChI InChI=1S/C24H21F3N4O/c25-24(26,27)19-12-11-18(17(13-19)10-9-16-5-2-1-3-6-16)14-28-23(32)30-21-7-4-8-22-20(21)15-29-31-22/h1-8,11-13,15H,9-10,14H2,(H,29,31)(H2,28,30,32)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319466
PNG
(1-(1H-indazol-4-yl)-3-(2-(3-methoxypropyl)-4-(trif...)
Show SMILES COCCCc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2/c1-29-9-3-4-13-10-15(20(21,22)23)8-7-14(13)11-24-19(28)26-17-5-2-6-18-16(17)12-25-27-18/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,25,27)(H2,24,26,28)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50264703
PNG
(CHEMBL522425 | N-(4-(Trifluoromethyl)phenyl)-1-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-7,9H,8,10-11H2,(H,27,29)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319468
PNG
(1-(1H-indazol-4-yl)-3-(2-phenoxy-4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ncc23)c(Oc2ccccc2)c1
Show InChI InChI=1S/C22H17F3N4O2/c23-22(24,25)15-10-9-14(20(11-15)31-16-5-2-1-3-6-16)12-26-21(30)28-18-7-4-8-19-17(18)13-27-29-19/h1-11,13H,12H2,(H,27,29)(H2,26,28,30)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319461
PNG
(1-(1H-indazol-4-yl)-3-((2-phenoxy-6-(trifluorometh...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ncc23)c(Oc2ccccc2)n1
Show InChI InChI=1S/C21H16F3N5O2/c22-21(23,24)18-10-9-13(19(28-18)31-14-5-2-1-3-6-14)11-25-20(30)27-16-7-4-8-17-15(16)12-26-29-17/h1-10,12H,11H2,(H,26,29)(H2,25,27,30)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319469
PNG
(1-(1H-indazol-4-yl)-3-(2-isopropyl-4-(trifluoromet...)
Show SMILES CC(C)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O/c1-11(2)14-8-13(19(20,21)22)7-6-12(14)9-23-18(27)25-16-4-3-5-17-15(16)10-24-26-17/h3-8,10-11H,9H2,1-2H3,(H,24,26)(H2,23,25,27)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306159
PNG
((S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N
Show InChI InChI=1/C27H22N8O2/c1-15-25-27(35-34-15)31-12-23(33-25)20-9-24(22(10-28)32-26(20)16-6-7-36-13-16)37-14-18(29)8-17-11-30-21-5-3-2-4-19(17)21/h2-7,9,11-13,18,30H,8,14,29H2,1H3,(H,31,34,35)/t18-/s2
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306160
PNG
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1
Show InChI InChI=1/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50264668
PNG
(CHEMBL491234 | N-(4-tert-Butylphenyl)-1-(pyrimidin...)
Show SMILES CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)16-5-7-17(8-6-16)23-18(25)15-9-13-24(14-10-15)19-21-11-4-12-22-19/h4-9,11-12H,10,13-14H2,1-3H3,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50264621
PNG
(CHEMBL482835 | N-(4-tert-Butylphenyl)-1-(3-chlorop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C21H24ClN3O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19/h4-10,12H,11,13-14H2,1-3H3,(H,24,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50306163
PNG
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/s2
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT2


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50319463
PNG
(1-(1H-indazol-4-yl)-3-((2-(3-methoxypropyl)-6-(tri...)
Show SMILES COCCCc1nc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2/c1-29-9-3-6-14-12(7-8-17(25-14)19(20,21)22)10-23-18(28)26-15-4-2-5-16-13(15)11-24-27-16/h2,4-5,7-8,11H,3,6,9-10H2,1H3,(H,24,27)(H2,23,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1


Bioorg Med Chem Lett 20: 3291-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.047
BindingDB Entry DOI: 10.7270/Q2B27VF7
More data for this
Ligand-Target Pair
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