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Compile Data Set for Download or QSAR

Found 26 hits of ec50 data for polymerid = 49000060,7150,7885   
Target
(Institution)
LigandTarget
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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50014945
PNG
(3-(2-aminopropyl)-1H-indol-5-ol | CHEMBL275854 | a...)
Show SMILES CC(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
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n/an/an/an/a 1.80n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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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n/an/an/an/a 2.80n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50014219
PNG
(2-(5-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine | ...)
Show SMILES COc1ccc2[nH]cc(CC(C)N)c2c1
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
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n/an/an/an/a 3.10n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180257
PNG
(1-(2-aminoethyl)-1H-indazol-6-ol | CHEMBL199385)
Show SMILES NCCn1ncc2ccc(O)cc12
Show InChI InChI=1S/C9H11N3O/c10-3-4-12-9-5-8(13)2-1-7(9)6-11-12/h1-2,5-6,13H,3-4,10H2
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n/an/an/an/a 4.5n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180255
PNG
(1-((S)-2-aminopropyl)-7-chloro-1H-indazol-6-ol | C...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)c(Cl)c12
Show InChI InChI=1S/C10H12ClN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180258
PNG
(1-((S)-2-aminopropyl)-7-fluoro-1H-indazol-6-ol | C...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)c(F)c12
Show InChI InChI=1S/C10H12FN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1
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n/an/an/an/a 5.5n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180252
PNG
((2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine |...)
Show SMILES COc1ccc2cnn(C[C@H](C)N)c2c1
Show InChI InChI=1S/C11H15N3O/c1-8(12)7-14-11-5-10(15-2)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180253
PNG
(1-((S)-2-aminopropyl)-7-methyl-1H-indazol-6-ol | C...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)c(C)c12
Show InChI InChI=1S/C11H15N3O/c1-7(12)6-14-11-8(2)10(15)4-3-9(11)5-13-14/h3-5,7,15H,6,12H2,1-2H3/t7-/m0/s1
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n/an/an/an/a 7.30n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 8.60n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
HTR2C


(CANINE)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/an/an/a 10.8n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog 5HT2C receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210078
PNG
((R)-2-(8-methoxymethyl-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 12.6n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
HTR2C


(CANINE)
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 16.2n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog 5HT2C receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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n/an/an/an/a 30.2n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50309343
PNG
(8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...)
Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12
Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
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n/an/an/an/a 61n/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor in rat fundus


Bioorg Med Chem Lett 20: 1128-33 (2010)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/an/an/a 78n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 82n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180256
PNG
(1-((R)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL4373...)
Show SMILES C[C@@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m1/s1
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n/an/an/an/a 87n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 689n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50059890
PNG
(2-(8-Methoxy-2,3,5,6-tetrahydro-benzo[1,2-b;5,4-b'...)
Show SMILES COc1c2OCCc2c(CCN)c2CCOc12
Show InChI InChI=1S/C13H17NO3/c1-15-13-11-9(3-6-16-11)8(2-5-14)10-4-7-17-12(10)13/h2-7,14H2,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast 5-hydroxytryptamine 2C receptor


J Med Chem 40: 2997-3008 (1997)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50059892
PNG
(2-(6,7-Dimethoxy-2,3-dihydro-benzofuran-4-yl)-ethy...)
Show SMILES COc1cc(CCN)c2CCOc2c1OC
Show InChI InChI=1S/C12H17NO3/c1-14-10-7-8(3-5-13)9-4-6-16-11(9)12(10)15-2/h7H,3-6,13H2,1-2H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast 5-hydroxytryptamine 2C receptor


J Med Chem 40: 2997-3008 (1997)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50059893
PNG
(2-(4-Ethoxy-3,5-dimethoxy-phenyl)-ethylamine | CHE...)
Show SMILES CCOc1c(OC)cc(CCN)cc1OC
Show InChI InChI=1S/C12H19NO3/c1-4-16-12-10(14-2)7-9(5-6-13)8-11(12)15-3/h7-8H,4-6,13H2,1-3H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast 5-hydroxytryptamine 2C receptor


J Med Chem 40: 2997-3008 (1997)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50059891
PNG
(1-amino-2-(3,4,5-trimethoxyphenyl)ethane | 2-(3,4,...)
Show SMILES COc1cc(CCN)cc(OC)c1OC
Show InChI InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
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PubMed
n/an/an/an/a 2.40E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast 5-hydroxytryptamine 2C receptor


J Med Chem 40: 2997-3008 (1997)

More data for this
Ligand-Target Pair