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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'ahn' and Initial = 'kh'   
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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2.60n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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2.70n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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4.20n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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11n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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12n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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12n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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15n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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16n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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24n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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30n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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31n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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34n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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44n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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46n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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46n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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56n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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77n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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184n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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185n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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195n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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232n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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263n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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320n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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327n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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334n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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334n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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>367n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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783n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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1.57E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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1.62E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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1.95E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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6.67E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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1.25E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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3.76E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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8.81E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20880
PNG
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396768
PNG
(CHEMBL2172386)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C)cc1
Show InChI InChI=1S/C23H28O6/c1-3-14-4-6-15(7-5-14)9-16-10-18-17(8-13(16)2)12-28-23(18)22(27)21(26)20(25)19(11-24)29-23/h4-8,10,19-22,24-27H,3,9,11-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396767
PNG
(CHEMBL2172387)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C#C)cc1
Show InChI InChI=1S/C24H26O6/c1-3-14-5-7-15(8-6-14)9-17-11-19-18(10-16(17)4-2)13-29-24(19)23(28)22(27)21(26)20(12-25)30-24/h2,5-8,10-11,20-23,25-28H,3,9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396776
PNG
(CHEMBL2172494)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(cc4)C4CC4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H26O6/c24-11-19-20(25)21(26)22(27)23(29-19)18-10-14(3-6-17(18)12-28-23)9-13-1-4-15(5-2-13)16-7-8-16/h1-6,10,16,19-22,24-27H,7-9,11-12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396779
PNG
(TOFOGLIFLOZIN)
Show SMILES CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396777
PNG
(CHEMBL2172493)
Show SMILES CC(C)c1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C23H28O6/c1-13(2)16-6-3-14(4-7-16)9-15-5-8-17-12-28-23(18(17)10-15)22(27)21(26)20(25)19(11-24)29-23/h3-8,10,13,19-22,24-27H,9,11-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396769
PNG
(CHEMBL2172385)
Show SMILES CSc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C21H24O6S/c1-28-15-6-3-12(4-7-15)8-13-2-5-14-11-26-21(16(14)9-13)20(25)19(24)18(23)17(10-22)27-21/h2-7,9,17-20,22-25H,8,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396780
PNG
(CHEMBL2172491)
Show SMILES Cc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C21H24O6/c1-12-2-4-13(5-3-12)8-14-6-7-15-11-26-21(16(15)9-14)20(25)19(24)18(23)17(10-22)27-21/h2-7,9,17-20,22-25H,8,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396778
PNG
(CHEMBL2172492)
Show SMILES CCCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C23H28O6/c1-2-3-14-4-6-15(7-5-14)10-16-8-9-17-13-28-23(18(17)11-16)22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-22,24-27H,2-3,10,12-13H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396781
PNG
(CHEMBL2172389)
Show SMILES COc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C21H24O7/c1-26-15-6-3-12(4-7-15)8-13-2-5-14-11-27-21(16(14)9-13)20(25)19(24)18(23)17(10-22)28-21/h2-7,9,17-20,22-25H,8,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50303241
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-ethoxybenzyl)-6'-(hydrox...)
Show SMILES CCOc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Show InChI InChI=1S/C22H26O7/c1-2-27-16-7-4-13(5-8-16)9-14-3-6-15-12-28-22(17(15)10-14)21(26)20(25)19(24)18(11-23)29-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50317662
PNG
(3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)
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n/an/a 12n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396771
PNG
(CHEMBL2172383)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(cc4)C(F)(F)F)cc23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H21F3O6/c22-21(23,24)14-5-2-11(3-6-14)7-12-1-4-13-10-29-20(15(13)8-12)19(28)18(27)17(26)16(9-25)30-20/h1-6,8,16-19,25-28H,7,9-10H2/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 14.2n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396770
PNG
(CHEMBL2172384)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(OC(F)(F)F)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H21F3O7/c22-21(23,24)30-14-5-2-11(3-6-14)7-12-1-4-13-10-29-20(15(13)8-12)19(28)18(27)17(26)16(9-25)31-20/h1-6,8,16-19,25-28H,7,9-10H2/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 14.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
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