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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'nylöf' and Initial = 'm'   
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))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090762
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C17H25NO3/c1-5-9-18(12(2)3)13-10-15-14(17(19)20-4)7-6-8-16(15)21-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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0.320n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090763
PNG
((R)-3-{[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-but...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C27H39N3O4/c1-3-13-29(20-16-22-21(26(33)28-2)9-8-10-23(22)34-19-20)14-6-7-15-30-24(31)17-27(18-25(30)32)11-4-5-12-27/h8-10,20H,3-7,11-19H2,1-2H3,(H,28,33)
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090756
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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0.480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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2.37n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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11.9n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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14n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090761
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C19H28N2O2/c1-3-11-21(14-7-4-5-8-14)15-12-17-16(19(22)20-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3,(H,20,22)
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18.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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64n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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98.4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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134n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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397n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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3.01E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A by measuring its ability to displace [3H]-raclopride from D2A receptor expressed in m...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391055
PNG
(CHEMBL2088399)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O2S/c1-19(2,3)13-6-4-12(5-7-13)18(23)20-14-8-9-16-15(10-14)21-17(11-22)24-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391031
PNG
(CHEMBL2088393)
Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391029
PNG
(CHEMBL2088391)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-3-1-9(2-4-10)15(23)20-11-5-6-13-12(7-11)21-14(8-22)24-13/h1-7,22H,8H2,(H,20,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391491
PNG
(CHEMBL2147211)
Show SMILES COc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-20-14-27-18(13-29-20)17-5-3-2-4-15(17)8-10-26-21(30)16-6-7-19(28-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391513
PNG
(CHEMBL2147306)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-13-3-5-17(23)16(19(13)15-10-29-21(32-2)30-11-15)7-8-27-20(31)14-4-6-18(28-9-14)33-12-22(24,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391489
PNG
(CHEMBL2147212)
Show SMILES FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391027
PNG
(CHEMBL2088401)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391025
PNG
(CHEMBL2088398)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2s1
Show InChI InChI=1S/C19H20N2OS/c1-12-20-16-11-15(9-10-17(16)23-12)21-18(22)13-5-7-14(8-6-13)19(2,3)4/h5-11H,1-4H3,(H,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391483
PNG
(CHEMBL2147223)
Show SMILES COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391496
PNG
(CHEMBL2147221)
Show SMILES COc1ncc(cn1)-c1cccc(C)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-15-4-3-5-19(17-13-29-22(32-2)30-14-17)18(15)8-10-27-21(31)16-6-7-20(28-12-16)33-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391502
PNG
(CHEMBL2147305)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-5-18(24)17(20(14)16-12-30-22(33-2)31-13-16)7-9-28-21(32)15-4-6-19(29-11-15)34-10-8-23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391032
PNG
(CHEMBL2088394)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-11(2)23-14-6-3-12(4-7-14)18(22)19-13-5-8-16-15(9-13)20-17(10-21)24-16/h3-9,11,21H,10H2,1-2H3,(H,19,22)
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391492
PNG
(CHEMBL2147213)
Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCCc1ccccc1-c1cccnc1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)10-13-30-20-8-7-18(15-28-20)21(29)27-12-9-16-4-1-2-6-19(16)17-5-3-11-26-14-17/h1-8,11,14-15H,9-10,12-13H2,(H,27,29)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391501
PNG
(CHEMBL2147307)
Show SMILES COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391040
PNG
(CHEMBL2088406)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(OCC(F)(F)F)nc3)ccc2s1
Show InChI InChI=1S/C16H12F3N3O3S/c17-16(18,19)8-25-13-4-1-9(6-20-13)15(24)21-10-2-3-12-11(5-10)22-14(7-23)26-12/h1-6,23H,7-8H2,(H,21,24)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391052
PNG
(CHEMBL2088419)
Show SMILES CC(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)c(C)c1
Show InChI InChI=1S/C19H20N2O3S/c1-11(2)24-14-5-6-15(12(3)8-14)19(23)20-13-4-7-17-16(9-13)21-18(10-22)25-17/h4-9,11,22H,10H2,1-3H3,(H,20,23)
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50391500
PNG
(CHEMBL2147308)
Show SMILES COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-30-18(9-31-19)20-15(16(23)4-5-17(20)24)6-7-28-21(32)13-2-3-14(29-8-13)11-34-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391053
PNG
(CHEMBL2088420)
Show SMILES Cc1cc(Br)ccc1C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C16H13BrN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21)
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50391037
PNG
(CHEMBL2088403)
Show SMILES CC(C)(C)OCc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C20H22N2O3S/c1-20(2,3)25-12-13-4-6-14(7-5-13)19(24)21-15-8-9-17-16(10-15)22-18(11-23)26-17/h4-10,23H,11-12H2,1-3H3,(H,21,24)
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay


Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
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