BDBM50099893 3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine::CHEMBL28997

SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

InChI Key InChIKey=HNCAIEASLRMRKM-UHFFFAOYSA-N

Data  23 KI

Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50099893   

TargetD(4) dopamine receptor(RAT)
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  2.30nMAssay Description:In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperoneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  232nMAssay Description:Binding affinity to cloned human 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  412nMAssay Description:In vitro binding affinity to human 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  2.76E+3nMAssay Description:In vitro binding affinity to human 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned human 5-hydroxytryptamine 1B receptorMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity of the compound to cloned Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Opioid receptor mu 1More data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(RAT)
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity to cloned rat Dopamine receptor D1 measured by displacement of radioligand [3H]-SCH-23,982More data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Histamine H1 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity to rat Dopamine receptor D2 measured by displacement of the radioligand [3H]-spiperoneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Muscarinic acetylcholine receptor M3More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity to human 5-hydroxytryptamine 6 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned human 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Muscarinic acetylcholine receptor M5More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned human 5-hydroxytryptamine 5A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned human 5-hydroxytryptamine 1E receptorMore data for this Ligand-Target Pair
TargetD(1B) dopamine receptor(RAT)
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Muscarinic acetylcholine receptor M1More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpirideMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Muscarinic acetylcholine receptor M2More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Opioid receptor delta 1More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Columbia University College of Physicians and Surgeons

Curated by ChEMBL
LigandPNGBDBM50099893(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to cloned Muscarinic acetylcholine receptor M4More data for this Ligand-Target Pair