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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'ponnala' and Initial = 's'   
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))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1A adrenergic receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibitory concentration of Bacillus stearothermophilus glucosidase (of family 13 alpha-glucosidase) at 1 umol/mL


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Competitive Inhibition constant for Bacillus stearothermophilus glucosidase


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1A adrenergic receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/a 32n/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair