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Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'meert' and Initial = 'tf'   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146351
PNG
(CHEMBL329566 | Dimethyl-[(2R,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146357
PNG
(CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146348
PNG
(CHEMBL92667 | Dimethyl-[(3aR,12bS)-1-(3,3a,8,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146351
PNG
(CHEMBL329566 | Dimethyl-[(2R,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146340
PNG
(1-Methyl-4-[(3aR,12bS)-1-(2,3,3a,12b-tetrahydro-1-...)
Show SMILES CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
Show InChI InChI=1S/C22H26N2OS/c1-23-10-12-24(13-11-23)15-16-14-19-17-6-2-4-8-20(17)26-21-9-5-3-7-18(21)22(19)25-16/h2-9,16,19,22H,10-15H2,1H3/t16?,19-,22-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146343
PNG
((4-Fluoro-phenyl)-{1-[(3aR,12bS)-1-(3,3a,8,12b-tet...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C30H30FNO2/c31-24-11-9-20(10-12-24)29(33)21-13-15-32(16-14-21)19-25-18-28-26-7-3-1-5-22(26)17-23-6-2-4-8-27(23)30(28)34-25/h1-12,21,25,28,30H,13-19H2/t25?,28-,30-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146353
PNG
(4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-di...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C22H25NO2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)22-21(19)14-18(25-22)15-23-9-11-24-12-10-23/h1-8,18,21-22H,9-15H2/t18?,21-,22-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146351
PNG
(CHEMBL329566 | Dimethyl-[(2R,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146350
PNG
(1-Methyl-4-[(3aR,12bS)-1-(3,3a,8,12b-tetrahydro-2H...)
Show SMILES CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C23H28N2O/c1-24-10-12-25(13-11-24)16-19-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)23(22)26-19/h2-9,19,22-23H,10-16H2,1H3/t19?,22-,23-/m1/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146357
PNG
(CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50404245
PNG
(CHEMBL2112371)
Show SMILES CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15-,18-,19-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146354
PNG
(2-{4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa...)
Show SMILES OCCN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C24H30N2O2/c27-14-13-25-9-11-26(12-10-25)17-20-16-23-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)24(23)28-20/h1-8,20,23-24,27H,9-17H2/t20?,23-,24-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146342
PNG
(CHEMBL327651 | Dimethyl-[(2S,3aS,12bR)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146347
PNG
(CHEMBL327306 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
Show InChI InChI=1S/C19H21NOS/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146356
PNG
(CHEMBL328356 | Dimethyl-((3aR,12bS)-8-methyl-3,3a,...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)13-14-12-17-15-8-4-6-10-18(15)22(3)19-11-7-5-9-16(19)20(17)23-14/h4-11,14,17,20H,12-13H2,1-3H3/t14?,17-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146348
PNG
(CHEMBL92667 | Dimethyl-[(3aR,12bS)-1-(3,3a,8,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146352
PNG
(CHEMBL329685 | Methyl-[(3aR,12bS)-1-(3,3a,8,12b-te...)
Show SMILES CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15?,18-,19-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146339
PNG
(CHEMBL93321 | N,N-dimethyl-(3aR,13bS)-2H,9H-dibenz...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
Show InChI InChI=1S/C20H23NO2/c1-21(2)12-15-11-18-17-9-5-6-10-19(17)22-13-14-7-3-4-8-16(14)20(18)23-15/h3-10,15,18,20H,11-13H2,1-2H3/t15?,18-,20-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146352
PNG
(CHEMBL329685 | Methyl-[(3aR,12bS)-1-(3,3a,8,12b-te...)
Show SMILES CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15?,18-,19-/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146356
PNG
(CHEMBL328356 | Dimethyl-((3aR,12bS)-8-methyl-3,3a,...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)13-14-12-17-15-8-4-6-10-18(15)22(3)19-11-7-5-9-16(19)20(17)23-14/h4-11,14,17,20H,12-13H2,1-3H3/t14?,17-,20-/m1/s1
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13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146345
PNG
(CHEMBL96158 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50404245
PNG
(CHEMBL2112371)
Show SMILES CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15-,18-,19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146343
PNG
((4-Fluoro-phenyl)-{1-[(3aR,12bS)-1-(3,3a,8,12b-tet...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C30H30FNO2/c31-24-11-9-20(10-12-24)29(33)21-13-15-32(16-14-21)19-25-18-28-26-7-3-1-5-22(26)17-23-6-2-4-8-27(23)30(28)34-25/h1-12,21,25,28,30H,13-19H2/t25?,28-,30-/m1/s1
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17n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146340
PNG
(1-Methyl-4-[(3aR,12bS)-1-(2,3,3a,12b-tetrahydro-1-...)
Show SMILES CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
Show InChI InChI=1S/C22H26N2OS/c1-23-10-12-24(13-11-23)15-16-14-19-17-6-2-4-8-20(17)26-21-9-5-3-7-18(21)22(19)25-16/h2-9,16,19,22H,10-15H2,1H3/t16?,19-,22-/m1/s1
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17n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146357
PNG
(CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1
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20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146341
PNG
(CHEMBL328209 | N,N-dimethyl-(3aR,13bS)-2H,8H-diben...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1OCc1ccccc21
Show InChI InChI=1S/C20H23NO2/c1-21(2)12-15-11-18-16-8-4-3-7-14(16)13-22-19-10-6-5-9-17(19)20(18)23-15/h3-10,15,18,20H,11-13H2,1-2H3/t15?,18-,20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146348
PNG
(CHEMBL92667 | Dimethyl-[(3aR,12bS)-1-(3,3a,8,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20-/m1/s1
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22n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146347
PNG
(CHEMBL327306 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
Show InChI InChI=1S/C19H21NOS/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146353
PNG
(4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-di...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C22H25NO2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)22-21(19)14-18(25-22)15-23-9-11-24-12-10-23/h1-8,18,21-22H,9-15H2/t18?,21-,22-/m1/s1
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27n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146355
PNG
(CHEMBL96732 | Dimethyl-[(3aS,12bS)-1-(3,3a,8,12b-t...)
Show SMILES CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20+/m0/s1
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27n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146342
PNG
(CHEMBL327651 | Dimethyl-[(2S,3aS,12bR)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m0/s1
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28n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146358
PNG
(4-Phenyl-1-[(3aR,12bS)-1-(3,3a,8,12b-tetrahydro-2H...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)22-14-16-30(17-15-22)20-25-19-28-26-12-6-4-10-23(26)18-24-11-5-7-13-27(24)29(28)31-25/h1-13,22,25,28-29H,14-20H2/t25?,28-,29-/m1/s1
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146345
PNG
(CHEMBL96158 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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31n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146347
PNG
(CHEMBL327306 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
Show InChI InChI=1S/C19H21NOS/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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31n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146339
PNG
(CHEMBL93321 | N,N-dimethyl-(3aR,13bS)-2H,9H-dibenz...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
Show InChI InChI=1S/C20H23NO2/c1-21(2)12-15-11-18-17-9-5-6-10-19(17)22-13-14-7-3-4-8-16(14)20(18)23-15/h3-10,15,18,20H,11-13H2,1-2H3/t15?,18-,20-/m1/s1
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33n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146344
PNG
(CHEMBL330713 | Dimethyl-[(3aS,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19+/m0/s1
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33n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146345
PNG
(CHEMBL96158 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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37n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146358
PNG
(4-Phenyl-1-[(3aR,12bS)-1-(3,3a,8,12b-tetrahydro-2H...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)22-14-16-30(17-15-22)20-25-19-28-26-12-6-4-10-23(26)18-24-11-5-7-13-27(24)29(28)31-25/h1-13,22,25,28-29H,14-20H2/t25?,28-,29-/m1/s1
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43n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146346
PNG
(4-Phenyl-1-[(3aR,12bS)-1-(2,3,3a,12b-tetrahydro-1-...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H29NOS/c1-2-8-20(9-3-1)21-14-16-29(17-15-21)19-22-18-25-23-10-4-6-12-26(23)31-27-13-7-5-11-24(27)28(25)30-22/h1-13,21-22,25,28H,14-19H2/t22?,25-,28-/m1/s1
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47n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146352
PNG
(CHEMBL329685 | Methyl-[(3aR,12bS)-1-(3,3a,8,12b-te...)
Show SMILES CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15?,18-,19-/m1/s1
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49n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146359
PNG
(1-(3-Chloro-phenyl)-4-[(3aR,12bS)-1-(3,3a,8,12b-te...)
Show SMILES Clc1cccc(c1)N1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C28H29ClN2O/c29-22-8-5-9-23(17-22)31-14-12-30(13-15-31)19-24-18-27-25-10-3-1-6-20(25)16-21-7-2-4-11-26(21)28(27)32-24/h1-11,17,24,27-28H,12-16,18-19H2/t24?,27-,28-/m1/s1
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56n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146346
PNG
(4-Phenyl-1-[(3aR,12bS)-1-(2,3,3a,12b-tetrahydro-1-...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H29NOS/c1-2-8-20(9-3-1)21-14-16-29(17-15-21)19-22-18-25-23-10-4-6-12-26(23)31-27-13-7-5-11-24(27)28(25)30-22/h1-13,21-22,25,28H,14-19H2/t22?,25-,28-/m1/s1
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69n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50404245
PNG
(CHEMBL2112371)
Show SMILES CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15-,18-,19-/m0/s1
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74n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146356
PNG
(CHEMBL328356 | Dimethyl-((3aR,12bS)-8-methyl-3,3a,...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)13-14-12-17-15-8-4-6-10-18(15)22(3)19-11-7-5-9-16(19)20(17)23-14/h4-11,14,17,20H,12-13H2,1-3H3/t14?,17-,20-/m1/s1
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81n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146354
PNG
(2-{4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa...)
Show SMILES OCCN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C24H30N2O2/c27-14-13-25-9-11-26(12-10-25)17-20-16-23-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)24(23)28-20/h1-8,20,23-24,27H,9-17H2/t20?,23-,24-/m1/s1
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87n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146339
PNG
(CHEMBL93321 | N,N-dimethyl-(3aR,13bS)-2H,9H-dibenz...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
Show InChI InChI=1S/C20H23NO2/c1-21(2)12-15-11-18-17-9-5-6-10-19(17)22-13-14-7-3-4-8-16(14)20(18)23-15/h3-10,15,18,20H,11-13H2,1-2H3/t15?,18-,20-/m1/s1
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91n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146344
PNG
(CHEMBL330713 | Dimethyl-[(3aS,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19+/m0/s1
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93n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
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