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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 415.5
BDBM50280815
Wt: 429.5
BDBM50280816
Wt: 456.5
BDBM50280817
Wt: 442.5
BDBM50280819
Wt: 456.5
BDBM50280820
Wt: 423.5
BDBM50280822
Wt: 391.4
BDBM50280824
Wt: 434.5
BDBM50280825
Wt: 427.5
BDBM50280826
Wt: 417.5
BDBM50280827
Wt: 449.6
BDBM50280828
Wt: 455.5
BDBM50280829
Wt: 420.4
BDBM50280830
Wt: 455.5
BDBM50280831
Wt: 433.5
BDBM50280832
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 60 hits in this display   
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 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280830
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280826
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280822
PNG
(4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280819
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1
Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280831
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1
Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280817
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280828
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280824
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280832
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280827
PNG
(1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280829
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280825
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O
Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280815
PNG
(CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280820
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23
Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280816
PNG
(CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280824
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280816
PNG
(CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280826
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280815
PNG
(CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280828
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280830
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280832
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280830
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280820
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23
Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280827
PNG
(1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280817
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280819
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1
Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280815
PNG
(CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280816
PNG
(CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280826
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280824
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280819
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1
Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280831
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1
Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280829
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280831
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1
Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280817
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280827
PNG
(1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280820
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23
Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280825
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O
Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280822
PNG
(4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280822
PNG
(4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280825
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O
Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Alpha-1 adrenergic receptor


(Mus musculus (Mouse))
BDBM50280828
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50280829
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50280817
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50280815
PNG
(CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50280829
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50280830
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50280825
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O
Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50280831
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1
Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
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