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Compile Data Set for Download or QSAR

Found 686 hits with Last Name = 'narayan' and Initial = 'a'   
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 3A


(Homo sapiens (Human))
BDBM50103072
PNG
(1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole | CHEM...)
Show SMILES C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
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0.360n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103070
PNG
(1-(4-Methoxy-benzyl)-2-piperazin-1-yl-1H-benzoimid...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1
Show InChI InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
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0.420n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50533716
PNG
(CHEMBL4453504)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50533717
PNG
(CHEMBL4449284)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(C#N)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H27N3O4/c1-4-14-12-26-9-8-23(19(26)10-16(14)17(13-29-2)22(28)30-3)21(27)20-15(11-24)6-5-7-18(20)25-23/h5-7,13-14,16,19,25H,4,8-10,12H2,1-3H3/b17-13+/t14-,16+,19+,23+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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0.650n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
Mu-type opioid receptor


(MOUSE)
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(MOUSE)
BDBM50528969
PNG
(CHEMBL4458337)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C28H32N2O4/c1-4-18-16-30-14-13-28(24(30)15-21(18)22(17-33-2)27(32)34-3)26(31)25-20(11-8-12-23(25)29-28)19-9-6-5-7-10-19/h5-12,17-18,21,24,29H,4,13-16H2,1-3H3/b22-17+/t18-,21+,24+,28+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50528969
PNG
(CHEMBL4458337)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C28H32N2O4/c1-4-18-16-30-14-13-28(24(30)15-21(18)22(17-33-2)27(32)34-3)26(31)25-20(11-8-12-23(25)29-28)19-9-6-5-7-10-19/h5-12,17-18,21,24,29H,4,13-16H2,1-3H3/b22-17+/t18-,21+,24+,28+/m1/s1
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0.910n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50533719
PNG
(CHEMBL4441457)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(-c3ccoc3)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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1n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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1.20n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103076
PNG
(1-Naphthalen-2-ylmethyl-2-piperazin-1-yl-1H-benzoi...)
Show SMILES C(c1ccc2ccccc2c1)n1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C22H22N4/c1-2-6-19-15-17(9-10-18(19)5-1)16-26-21-8-4-3-7-20(21)24-22(26)25-13-11-23-12-14-25/h1-10,15,23H,11-14,16H2
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1.40n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50533718
PNG
(CHEMBL4530421)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(O)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(20(26)19-16(23-22)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)21(27)29-3/h5-7,12-14,18,23,25H,4,8-11H2,1-3H3/b15-12+/t13-,14+,18+,22+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50533719
PNG
(CHEMBL4441457)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(-c3ccoc3)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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1.5n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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1.70n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103075
PNG
(1-(4-Methyl-benzyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1
Show InChI InChI=1S/C19H22N4/c1-15-6-8-16(9-7-15)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
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1.70n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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1.80n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
Delta-type opioid receptor


(MOUSE)
BDBM50533717
PNG
(CHEMBL4449284)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(C#N)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H27N3O4/c1-4-14-12-26-9-8-23(19(26)10-16(14)17(13-29-2)22(28)30-3)21(27)20-15(11-24)6-5-7-18(20)25-23/h5-7,13-14,16,19,25H,4,8-10,12H2,1-3H3/b17-13+/t14-,16+,19+,23+/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50533720
PNG
(CHEMBL4557905)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(OC(C)=O)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C24H30N2O6/c1-5-15-12-26-10-9-24(20(26)11-16(15)17(13-30-3)23(29)31-4)22(28)21-18(25-24)7-6-8-19(21)32-14(2)27/h6-8,13,15-16,20,25H,5,9-12H2,1-4H3/b17-13+/t15-,16+,20+,24+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50533716
PNG
(CHEMBL4453504)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
Delta-type opioid receptor


(MOUSE)
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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3n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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3.60n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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3.80n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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4.60n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50180254
PNG
(1-((S)-2-aminopropyl)-7-iodo-1H-indazol-6-ol | CHE...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)c(I)c12
Show InChI InChI=1S/C10H12IN3O/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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4.80n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103069
PNG
(1-(4-Fluoro-benzyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1
Show InChI InChI=1S/C18H19FN4/c19-15-7-5-14(6-8-15)13-23-17-4-2-1-3-16(17)21-18(23)22-11-9-20-10-12-22/h1-8,20H,9-13H2
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5.20n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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5.80n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50180254
PNG
(1-((S)-2-aminopropyl)-7-iodo-1H-indazol-6-ol | CHE...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)c(I)c12
Show InChI InChI=1S/C10H12IN3O/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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6n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
Delta-type opioid receptor


(MOUSE)
BDBM50533718
PNG
(CHEMBL4530421)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(O)c2C1=O)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(20(26)19-16(23-22)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)21(27)29-3/h5-7,12-14,18,23,25H,4,8-11H2,1-3H3/b15-12+/t13-,14+,18+,22+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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7n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103073
PNG
(1-Phenethyl-2-piperazin-1-yl-1H-benzoimidazole | C...)
Show SMILES C(Cn1c(nc2ccccc12)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22N4/c1-2-6-16(7-3-1)10-13-23-18-9-5-4-8-17(18)21-19(23)22-14-11-20-12-15-22/h1-9,20H,10-15H2
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7.40n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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7.5n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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7.80n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103071
PNG
(1-(3-Phenyl-propyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES C(Cc1ccccc1)Cn1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C20H24N4/c1-2-7-17(8-3-1)9-6-14-24-19-11-5-4-10-18(19)22-20(24)23-15-12-21-13-16-23/h1-5,7-8,10-11,21H,6,9,12-16H2
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8n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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8.10n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2A


(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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8.20n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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8.30n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
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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8.30n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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8.70n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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9.60n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(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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13n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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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13n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
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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15n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
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
PDB

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15n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


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
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