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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'wanibuchi' and Initial = 'f'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065562
PNG
(CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3
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0.149n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065578
PNG
(CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20|
Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3
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0.159n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065555
PNG
(CHEMBL96578 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C21H26FNO3/c1-15-3-6-17-13-18(22)14-20(21(17)26-15)25-12-11-23-10-9-16-4-7-19(24-2)8-5-16/h4-5,7-8,13-15,23H,3,6,9-12H2,1-2H3
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0.188n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375457
PNG
(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375451
PNG
(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50057436
PNG
(CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
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0.221n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50057436
PNG
(CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3
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0.259n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065573
PNG
(CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065578
PNG
(CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20|
Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3
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0.288n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065573
PNG
(CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3
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0.312n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065562
PNG
(CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3
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0.435n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375452
PNG
(CHEMBL262092)
Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.530n/an/an/an/an/an/an/an/a



University of Arizona Health Science Center

Curated by PDSP Ki Database




Life Sci 50: 355-63 (1992)


Article DOI: 10.1016/0024-3205(92)90437-t
BindingDB Entry DOI: 10.7270/Q2XK8D19
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.590n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand; ND = Not determined


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065563
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3
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0.724n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065563
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3
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0.724n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375457
PNG
(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375451
PNG
(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375458
PNG
(CHEMBL406851)
Show SMILES C[C@H](N)Cn1ncc2ccc3sccc3c12
Show InChI InChI=1S/C12H13N3S/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



University of Arizona Health Science Center

Curated by PDSP Ki Database




Life Sci 50: 355-63 (1992)


Article DOI: 10.1016/0024-3205(92)90437-t
BindingDB Entry DOI: 10.7270/Q2XK8D19
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065563
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065563
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065561
PNG
(CHEMBL96546 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C25H34FNO3/c1-19-8-11-21-17-22(26)18-24(25(21)30-19)29-16-15-27-14-6-4-3-5-7-20-9-12-23(28-2)13-10-20/h9-10,12-13,17-19,27H,3-8,11,14-16H2,1-2H3
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2.31n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065582
PNG
(6-Fluoro-8-{2-[2-(4-methoxy-phenyl)-ethylamino]-et...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C20H24FNO4/c1-24-16-4-2-14(3-5-16)6-8-22-9-11-25-19-13-15(21)12-17-18(23)7-10-26-20(17)19/h2-5,12-13,18,22-23H,6-11H2,1H3
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2.34n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375900
PNG
(CHEMBL259480)
Show SMILES Clc1c(Br)ccc2CCNCCc12
Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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2.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375454
PNG
(CHEMBL261045)
Show SMILES CCc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C14H17N3O/c1-3-12-10-4-5-13-11(6-7-18-13)14(10)17(16-12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065576
PNG
(8-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-butyla...)
Show SMILES Fc1cc(OCCNCCCCc2ccc3OCCOc3c2)c2OCCC(=O)c2c1
Show InChI InChI=1S/C23H26FNO5/c24-17-14-18-19(26)6-9-30-23(18)22(15-17)27-10-8-25-7-2-1-3-16-4-5-20-21(13-16)29-12-11-28-20/h4-5,13-15,25H,1-3,6-12H2
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2.60n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065557
PNG
(8-[2-(4-Benzo[1,3]dioxol-5-yl-butylamino)-ethoxy]-...)
Show SMILES Fc1cc(OCCNCCCCc2ccc3OCOc3c2)c2OCCC(=O)c2c1
Show InChI InChI=1S/C22H24FNO5/c23-16-12-17-18(25)6-9-27-22(17)21(13-16)26-10-8-24-7-2-1-3-15-4-5-19-20(11-15)29-14-28-19/h4-5,11-13,24H,1-3,6-10,14H2
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2.67n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375447
PNG
(CHEMBL403927)
Show SMILES CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C16H21N3O/c1-4-11-8-13-15(20-11)7-6-12-14(5-2)18-19(16(12)13)9-10(3)17/h6-8,10H,4-5,9,17H2,1-3H3/t10-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065582
PNG
(6-Fluoro-8-{2-[2-(4-methoxy-phenyl)-ethylamino]-et...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3C(O)CCOc23)cc1
Show InChI InChI=1S/C20H24FNO4/c1-24-16-4-2-14(3-5-16)6-8-22-9-11-25-19-13-15(21)12-17-18(23)7-10-26-20(17)19/h2-5,12-13,18,22-23H,6-11H2,1H3
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2.99n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065560
PNG
(CHEMBL95044 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-18-7-10-20-16-21(25)17-23(24(20)29-18)28-15-14-26-13-5-3-4-6-19-8-11-22(27-2)12-9-19/h8-9,11-12,16-18,26H,3-7,10,13-15H2,1-2H3
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3.02n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065568
PNG
(6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...)
Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
Show InChI InChI=1S/C22H26FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,24H,2-4,9-13H2,1H3
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3.07n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375459
PNG
(CHEMBL264172)
Show SMILES C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-7(4-14-15)2-3-8(11)9(10)12/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065569
PNG
(6-Fluoro-8-{2-[2-(4-methoxy-phenyl)-ethylamino]-et...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
Show InChI InChI=1S/C20H22FNO4/c1-24-16-4-2-14(3-5-16)6-8-22-9-11-25-19-13-15(21)12-17-18(23)7-10-26-20(17)19/h2-5,12-13,22H,6-11H2,1H3
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4.04n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065558
PNG
(8-{2-[4-(2,3-Dihydro-benzofuran-5-yl)-butylamino]-...)
Show SMILES Fc1cc(OCCNCCCCc2ccc3OCCc3c2)c2OCCC(=O)c2c1
Show InChI InChI=1S/C23H26FNO4/c24-18-14-19-20(26)7-11-29-23(19)22(15-18)28-12-9-25-8-2-1-3-16-4-5-21-17(13-16)6-10-27-21/h4-5,13-15,25H,1-3,6-12H2
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4.19n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065565
PNG
(CHEMBL92651 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C22H28FNO3/c1-16-5-8-18-14-19(23)15-21(22(18)27-16)26-13-12-24-11-3-4-17-6-9-20(25-2)10-7-17/h6-7,9-10,14-16,24H,3-5,8,11-13H2,1-2H3
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4.98n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375448
PNG
(CHEMBL403926)
Show SMILES CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C15H19N3O/c1-4-11-7-13-14(19-11)6-5-12-10(3)17-18(15(12)13)8-9(2)16/h5-7,9H,4,8,16H2,1-3H3/t9-/m0/s1
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5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375899
PNG
(CHEMBL406585)
Show SMILES Clc1c2CCNCCc2ccc1C#N
Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375458
PNG
(CHEMBL406851)
Show SMILES C[C@H](N)Cn1ncc2ccc3sccc3c12
Show InChI InChI=1S/C12H13N3S/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50065560
PNG
(CHEMBL95044 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C24H32FNO3/c1-18-7-10-20-16-21(25)17-23(24(20)29-18)28-15-14-26-13-5-3-4-6-19-8-11-22(27-2)12-9-19/h8-9,11-12,16-18,26H,3-7,10,13-15H2,1-2H3
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7.33n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375460
PNG
(CHEMBL256420)
Show SMILES C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-3-9(12)8(11)2-7(10)4-14-15/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50065555
PNG
(CHEMBL96578 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...)
Show SMILES COc1ccc(CCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Show InChI InChI=1S/C21H26FNO3/c1-15-3-6-17-13-18(22)14-20(21(17)26-15)25-12-11-23-10-9-16-4-7-19(24-2)8-5-16/h4-5,7-8,13-15,23H,3,6,9-12H2,1-2H3
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8.13n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.


J Med Chem 41: 2765-78 (1998)


Article DOI: 10.1021/jm9707840
BindingDB Entry DOI: 10.7270/Q2K073CQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375452
PNG
(CHEMBL262092)
Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
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