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BDBM50099888 3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine::CHEMBL282829

SMILES: CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

InChI Key: InChIKey=FKHBXKAEVUTBRK-UHFFFAOYSA-N

Data: 23 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50099888   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(4) dopamine receptor


(RAT)
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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PubMed
5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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411n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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627n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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PubMed
1.69E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpiride


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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4.46E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 1E receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat Dopamine receptor D1 measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity of the compound to cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Histamine H1 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 5A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Opioid receptor mu 1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(RAT)
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D2 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Opioid receptor delta 1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
PDB

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antibodypedia
GoogleScholar
AffyNet 
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PC cid
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UniChem

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair