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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for UniProtKB: P34968   
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
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 680n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL




J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012981
PNG
(5-(1H-Indol-3-yl)-6-piperidin-1-yl-bicyclo[2.2.2]o...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCCC1 |TLB:18:7:1.2:5.4,THB:9:8:1.2:5.4,0:1:8.7:5.4|
Show InChI InChI=1S/C21H26N2O/c24-19-12-14-8-9-16(19)21(23-10-4-1-5-11-23)20(14)17-13-22-18-7-3-2-6-15(17)18/h2-3,6-7,13-14,16,20-22H,1,4-5,8-12H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL




J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012983
PNG
(3-(3-Piperidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-1...)
Show SMILES C1CCN(CC1)C1C2CCC(C=C2)C1c1c[nH]c2ccccc12 |c:12,TLB:14:13:11.12:9.8,THB:3:6:11.12:9.8|
Show InChI InChI=1S/C21H26N2/c1-4-12-23(13-5-1)21-16-10-8-15(9-11-16)20(21)18-14-22-19-7-3-2-6-17(18)19/h2-3,6-8,10,14-16,20-22H,1,4-5,9,11-13H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012983
PNG
(3-(3-Piperidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-1...)
Show SMILES C1CCN(CC1)C1C2CCC(C=C2)C1c1c[nH]c2ccccc12 |c:12,TLB:14:13:11.12:9.8,THB:3:6:11.12:9.8|
Show InChI InChI=1S/C21H26N2/c1-4-12-23(13-5-1)21-16-10-8-15(9-11-16)20(21)18-14-22-19-7-3-2-6-17(18)19/h2-3,6-8,10,14-16,20-22H,1,4-5,9,11-13H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012982
PNG
(3-(3-Pyrrolidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-...)
Show SMILES C1CCN(C1)C1C2CCC(C=C2)C1c1c[nH]c2ccccc12 |c:11,TLB:3:5:10.11:8.7,THB:13:12:10.11:8.7|
Show InChI InChI=1S/C20H24N2/c1-2-6-18-16(5-1)17(13-21-18)19-14-7-9-15(10-8-14)20(19)22-11-3-4-12-22/h1-2,5-7,9,13-15,19-21H,3-4,8,10-12H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012982
PNG
(3-(3-Pyrrolidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-...)
Show SMILES C1CCN(C1)C1C2CCC(C=C2)C1c1c[nH]c2ccccc12 |c:11,TLB:3:5:10.11:8.7,THB:13:12:10.11:8.7|
Show InChI InChI=1S/C20H24N2/c1-2-6-18-16(5-1)17(13-21-18)19-14-7-9-15(10-8-14)20(19)22-11-3-4-12-22/h1-2,5-7,9,13-15,19-21H,3-4,8,10-12H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Inhibitory activity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1 |TLB:18:7:1.2:5.4,THB:9:8:1.2:5.4,0:1:8.7:5.4|
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL




J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012981
PNG
(5-(1H-Indol-3-yl)-6-piperidin-1-yl-bicyclo[2.2.2]o...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCCC1 |TLB:18:7:1.2:5.4,THB:9:8:1.2:5.4,0:1:8.7:5.4|
Show InChI InChI=1S/C21H26N2O/c24-19-12-14-8-9-16(19)21(23-10-4-1-5-11-23)20(14)17-13-22-18-7-3-2-6-15(17)18/h2-3,6-7,13-14,16,20-22H,1,4-5,8-12H2
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n/an/a 8.40E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL




J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1 |TLB:18:7:1.2:5.4,THB:9:8:1.2:5.4,0:1:8.7:5.4|
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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n/an/a 9.60E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL




J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012984
PNG
(5-Phenyl-6-piperidin-1-yl-bicyclo[2.2.2]octan-2-on...)
Show SMILES O=C1CC2CCC1C(C2c1ccccc1)N1CCCCC1 |TLB:15:7:1.2:5.4,THB:0:1:7.8:5.4,9:8:1.2:5.4|
Show InChI InChI=1S/C19H25NO/c21-17-13-15-9-10-16(17)19(20-11-5-2-6-12-20)18(15)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18-19H,2,5-6,9-13H2
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n/an/a 1.81E+5n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL




J Med Chem 33: 386-94 (1990)


BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair