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Compile Data Set for Download or QSAR

Found 18 hits of ec50 for UniProtKB: P30994   
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 receptor 2a and 2b (5HT2A and 5HT2B)


(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 2n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 2.70n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 3.5n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 4.20n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 4.20n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 5.80n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


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


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 5.90n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 6.10n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 6.20n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


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


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 8.60n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 8.90n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 11.9n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


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


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 12n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 23n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


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


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 59n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


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


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 85n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 130n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


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


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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 240n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair