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Compile Data Set for Download or QSAR

Found 489 hits with Last Name = 'díaz' 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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146502
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(24-5-4-12-33-24)6-7-27-8-10-28(11-9-27)15-23-19-16-31-20-14-22(30-3)21(29-2)13-18(20)25(19)26-32-23/h4-6,12-14,19,23H,7-11,15-16H2,1-3H3/b17-6+/t19-,23-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146498
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(11-18-5-4-10-33-18)14-27-6-8-28(9-7-27)15-24-20-16-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,10-13,20,24H,6-9,14-16H2,1-3H3/b17-11+/t20-,24-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146506
PNG
((3R,3aS)-3-{4-[3-(3-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(11-19-5-4-6-20(28)12-19)15-30-7-9-31(10-8-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-6,11-14,22,26H,7-10,15-17H2,1-3H3/b18-11+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146510
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-3...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(10-18-4-9-33-16-18)13-27-5-7-28(8-6-27)14-24-20-15-31-21-12-23(30-3)22(29-2)11-19(21)25(20)26-32-24/h4,9-12,16,20,24H,5-8,13-15H2,1-3H3/b17-10+/t20-,24-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146501
PNG
((3R,3aS)-3-{4-[3-(2,5-Difluoro-phenyl)-2-methyl-al...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31F2N3O4/c1-17(10-18-11-19(28)4-5-22(18)29)14-31-6-8-32(9-7-31)15-26-21-16-35-23-13-25(34-3)24(33-2)12-20(23)27(21)30-36-26/h4-5,10-13,21,26H,6-9,14-16H2,1-3H3/b17-10+/t21-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-R91150 binding to human 5-hydroxytryptamine 2A receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146502
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(24-5-4-12-33-24)6-7-27-8-10-28(11-9-27)15-23-19-16-31-20-14-22(30-3)21(29-2)13-18(20)25(19)26-32-23/h4-6,12-14,19,23H,7-11,15-16H2,1-3H3/b17-6+/t19-,23-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146513
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(18-5-11-33-16-18)4-6-27-7-9-28(10-8-27)14-24-20-15-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,11-13,16,20,24H,6-10,14-15H2,1-3H3/b17-4+/t20-,24-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146512
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-but-2-enyl]-pip...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(19-4-6-20(28)7-5-19)8-9-30-10-12-31(13-11-30)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)29-35-26/h4-8,14-15,22,26H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146501
PNG
((3R,3aS)-3-{4-[3-(2,5-Difluoro-phenyl)-2-methyl-al...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31F2N3O4/c1-17(10-18-11-19(28)4-5-22(18)29)14-31-6-8-32(9-7-31)15-26-21-16-35-23-13-25(34-3)24(33-2)12-20(23)27(21)30-36-26/h4-5,10-13,21,26H,6-9,14-16H2,1-3H3/b17-10+/t21-,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146516
PNG
((3R,3aS)-3-[4-(3-Furan-2-yl-but-2-enyl)-piperazin-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O5/c1-17(20-5-4-12-31-20)6-7-27-8-10-28(11-9-27)15-24-19-16-32-21-14-23(30-3)22(29-2)13-18(21)25(19)26-33-24/h4-6,12-14,19,24H,7-11,15-16H2,1-3H3/b17-6+/t19-,24-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146515
PNG
((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H35N3O5/c1-19(13-20-7-5-6-8-23(20)32-2)16-30-9-11-31(12-10-30)17-27-22-18-35-24-15-26(34-4)25(33-3)14-21(24)28(22)29-36-27/h5-8,13-15,22,27H,9-12,16-18H2,1-4H3/b19-13+/t22-,27-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50162956
PNG
(CHEMBL371352 | Dimethyl-(11-methyl-3,3a,8,12b-tetr...)
Show SMILES CN(C)C[C@H]1CC2[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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0.430n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146504
PNG
((3R,3aS)-3-[4-(3-Furan-2-yl-2-methyl-allyl)-pipera...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O5/c1-17(11-18-5-4-10-31-18)14-27-6-8-28(9-7-27)15-24-20-16-32-21-13-23(30-3)22(29-2)12-19(21)25(20)26-33-24/h4-5,10-13,20,24H,6-9,14-16H2,1-3H3/b17-11+/t20-,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146516
PNG
((3R,3aS)-3-[4-(3-Furan-2-yl-but-2-enyl)-piperazin-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O5/c1-17(20-5-4-12-31-20)6-7-27-8-10-28(11-9-27)15-24-19-16-32-21-14-23(30-3)22(29-2)13-18(21)25(19)26-33-24/h4-6,12-14,19,24H,7-11,15-16H2,1-3H3/b17-6+/t19-,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-R91150 binding to human 5-hydroxytryptamine 2A receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146511
PNG
(4-{(E)-3-[4-((3R,3aS)-7,8-Dimethoxy-3a,4-dihydro-3...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O5/c1-18(19-4-6-20(31)7-5-19)8-9-29-10-12-30(13-11-29)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)28-35-26/h4-8,14-15,22,26,31H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146506
PNG
((3R,3aS)-3-{4-[3-(3-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(11-19-5-4-6-20(28)12-19)15-30-7-9-31(10-8-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-6,11-14,22,26H,7-10,15-17H2,1-3H3/b18-11+/t22-,26-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human serotonin transporter


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50162964
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146517
PNG
((3R,3aS)-3-{4-[3-(2,3-Difluoro-phenyl)-2-methyl-al...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5F)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31F2N3O4/c1-17(11-18-5-4-6-21(28)26(18)29)14-31-7-9-32(10-8-31)15-25-20-16-35-22-13-24(34-3)23(33-2)12-19(22)27(20)30-36-25/h4-6,11-13,20,25H,7-10,14-16H2,1-3H3/b17-11+/t20-,25-/m0/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
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/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
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146503
PNG
((3R,3aS)-3-{4-[3-(3-Fluoro-phenyl)-allyl]-piperazi...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-11-9-29(10-12-30)8-4-6-18-5-3-7-19(27)13-18/h3-7,13-15,21,25H,8-12,16-17H2,1-2H3/b6-4+/t21-,25-/m0/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
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146507
PNG
((3R,3aS)-3-{4-[3-(2,4-Difluoro-phenyl)-but-2-enyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5F)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31F2N3O4/c1-17(19-5-4-18(28)12-22(19)29)6-7-31-8-10-32(11-9-31)15-26-21-16-35-23-14-25(34-3)24(33-2)13-20(23)27(21)30-36-26/h4-6,12-14,21,26H,7-11,15-16H2,1-3H3/b17-6+/t21-,26-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-R91150 binding to human 5-hydroxytryptamine 2A receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146514
PNG
((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5OC)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H35N3O5/c1-19(20-7-5-6-8-23(20)32-2)9-10-30-11-13-31(14-12-30)17-27-22-18-35-24-16-26(34-4)25(33-3)15-21(24)28(22)29-36-27/h5-9,15-16,22,27H,10-14,17-18H2,1-4H3/b19-9+/t22-,27-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50162956
PNG
(CHEMBL371352 | Dimethyl-(11-methyl-3,3a,8,12b-tetr...)
Show SMILES CN(C)C[C@H]1CC2[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
Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146515
PNG
((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H35N3O5/c1-19(13-20-7-5-6-8-23(20)32-2)16-30-9-11-31(12-10-30)17-27-22-18-35-24-15-26(34-4)25(33-3)14-21(24)28(22)29-36-27/h5-8,13-15,22,27H,9-12,16-18H2,1-4H3/b19-13+/t22-,27-/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
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146510
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-3...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(10-18-4-9-33-16-18)13-27-5-7-28(8-6-27)14-24-20-15-31-21-12-23(30-3)22(29-2)11-19(21)25(20)26-32-24/h4,9-12,16,20,24H,5-8,13-15H2,1-3H3/b17-10+/t20-,24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146506
PNG
((3R,3aS)-3-{4-[3-(3-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(11-19-5-4-6-20(28)12-19)15-30-7-9-31(10-8-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-6,11-14,22,26H,7-10,15-17H2,1-3H3/b18-11+/t22-,26-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodosulpride binding to human Dopamine receptor D3


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/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
In vitro binding affinity towards human serotonin transporter


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50162964
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19-/m0/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
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146512
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-but-2-enyl]-pip...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(19-4-6-20(28)7-5-19)8-9-30-10-12-31(13-11-30)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)29-35-26/h4-8,14-15,22,26H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human serotonin transporter


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146508
PNG
((3R,3aS)-3-{4-[3-(4-Chloro-phenyl)-allyl]-piperazi...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(Cl)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H30ClN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+/t21-,25-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human serotonin transporter


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50162959
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146513
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(18-5-11-33-16-18)4-6-27-7-9-28(10-8-27)14-24-20-15-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,11-13,16,20,24H,6-10,14-15H2,1-3H3/b17-4+/t20-,24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to the human alpha-2A adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50162959
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50162959
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-R91150 binding to human 5-hydroxytryptamine 2A receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxetine binding to rat Norepinephrine transpoter


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146515
PNG
((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H35N3O5/c1-19(13-20-7-5-6-8-23(20)32-2)16-30-9-11-31(12-10-30)17-27-22-18-35-24-15-26(34-4)25(33-3)14-21(24)28(22)29-36-27/h5-8,13-15,22,27H,9-12,16-18H2,1-4H3/b19-13+/t22-,27-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human serotonin transporter


Bioorg Med Chem Lett 14: 2917-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.031
BindingDB Entry DOI: 10.7270/Q20864SM
More data for this
Ligand-Target Pair
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