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PubMed code 3385733

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		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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 3.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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 6.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227463
PNG
(CHEBI:48297 | CHEMBL1416204)
Show SMILES C[C@H](N)Cc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m0/s1
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 46n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227465
PNG
(CHEBI:48298 | CHEMBL1788239)
Show SMILES C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m1/s1
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 120n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227461
PNG
(CHEMBL1788281)
Show SMILES COc1ccc2[nH]cc(C[C@@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1
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 380n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227458
PNG
(CHEMBL2093088)
Show SMILES COc1ccc2[nH]cc(C[C@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
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 417n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227458
PNG
(CHEMBL2093088)
Show SMILES COc1ccc2[nH]cc(C[C@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
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 708n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227467
PNG
(CHEMBL1744072)
Show SMILES COc1cccc2[nH]cc(C[C@@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m1/s1
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 776n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227460
PNG
(CHEMBL1788280)
Show SMILES COc1cccc2[nH]cc(C[C@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m0/s1
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 955n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		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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 977n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227463
PNG
(CHEBI:48297 | CHEMBL1416204)
Show SMILES C[C@H](N)Cc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m0/s1
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 977n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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 1.02E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227461
PNG
(CHEMBL1788281)
Show SMILES COc1ccc2[nH]cc(C[C@@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1
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 1.29E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227457
PNG
(CHEMBL1788285)
Show SMILES C[C@@H](N)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
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 1.38E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227467
PNG
(CHEMBL1744072)
Show SMILES COc1cccc2[nH]cc(C[C@@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m1/s1
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 1.45E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227466
PNG
(CHEMBL2093087)
Show SMILES C[C@H](N)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m0/s1
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 1.51E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227462
PNG
(CHEMBL1788284)
Show SMILES C[C@@H](N)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1
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 1.55E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227464
PNG
(CHEMBL1744073)
Show SMILES COc1ccc2c(C[C@@H](C)N)c[nH]c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1
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 2.14E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227460
PNG
(CHEMBL1788280)
Show SMILES COc1cccc2[nH]cc(C[C@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m0/s1
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 2.69E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227465
PNG
(CHEBI:48298 | CHEMBL1788239)
Show SMILES C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m1/s1
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 3.16E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227462
PNG
(CHEMBL1788284)
Show SMILES C[C@@H](N)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1
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 3.47E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227456
PNG
(CHEMBL1744074)
Show SMILES C[C@H](N)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m0/s1
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 4.07E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227457
PNG
(CHEMBL1788285)
Show SMILES C[C@@H](N)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
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 4.27E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227466
PNG
(CHEMBL2093087)
Show SMILES C[C@H](N)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m0/s1
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 5.13E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227456
PNG
(CHEMBL1744074)
Show SMILES C[C@H](N)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m0/s1
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 6.17E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50227459
PNG
(CHEMBL1788282)
Show SMILES COc1ccc2c(C[C@H](C)N)c[nH]c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
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 7.24E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227464
PNG
(CHEMBL1744073)
Show SMILES COc1ccc2c(C[C@@H](C)N)c[nH]c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to displace 0.75 nM [3H]ketanserin in 5-hydroxytryptamine 2 receptor from rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50227459
PNG
(CHEMBL1788282)
Show SMILES COc1ccc2c(C[C@H](C)N)c[nH]c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to displace 0.75 nM [3H]ketanserin in 5-hydroxytryptamine 2 receptor from rat frontal cortex homogenate

J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%