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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'coates' and Initial = 'wj'   
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 2A


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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2.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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3.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412987
PNG
(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412988
PNG
(CHEMBL477008)
Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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52n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412988
PNG
(CHEMBL477008)
Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
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65n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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98n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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155n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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302n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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417n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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457n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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490n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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525n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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562n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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589n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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741n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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776n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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776n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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813n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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832n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412987
PNG
(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
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912n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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1.45E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412989
PNG
(CHEMBL474473)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)
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1.55E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412989
PNG
(CHEMBL474473)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)
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1.70E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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2.29E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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2.40E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412988
PNG
(CHEMBL477008)
Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
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2.82E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412989
PNG
(CHEMBL474473)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)
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2.95E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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3.39E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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3.55E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50412986
PNG
(CHEMBL474474)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)
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<4.79E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50412984
PNG
(CHEMBL458002)
Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
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4.90E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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5.13E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50412983
PNG
(CHEMBL458001)
Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
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5.25E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412986
PNG
(CHEMBL474474)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)
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<6.03E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50412985
PNG
(CHEMBL458220)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
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<6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50412986
PNG
(CHEMBL474474)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)
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<7.41E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412987
PNG
(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
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<1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50228246
PNG
(Indolidan)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)C1=NNC(=O)CC1 |t:14|
Show InChI InChI=1S/C14H15N3O2/c1-14(2)9-7-8(3-4-11(9)15-13(14)19)10-5-6-12(18)17-16-10/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 80n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDE 3 (phosphodiesterase III) from guinea pig ventricle


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDE 3 (phosphodiesterase III) from guinea pig ventricle


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50045018
PNG
(2-(2-Pentyloxy-phenyl)-3H-imidazo[4,5-c]pyridine; ...)
Show SMILES CCCCCOc1ccccc1-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C17H19N3O/c1-2-3-6-11-21-16-8-5-4-7-13(16)17-19-14-9-10-18-12-15(14)20-17/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50045012
PNG
(2-(2-Pentyloxy-phenyl)-3H-imidazo[4,5-b]pyridine |...)
Show SMILES CCCCCOc1ccccc1-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C17H19N3O/c1-2-3-6-12-21-15-10-5-4-8-13(15)16-19-14-9-7-11-18-17(14)20-16/h4-5,7-11H,2-3,6,12H2,1H3,(H,18,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50045013
PNG
(2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine | CH...)
Show SMILES CCCCOc1ccccc1-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C16H17N3O/c1-2-3-11-20-14-9-5-4-7-12(14)15-18-13-8-6-10-17-16(13)19-15/h4-10H,2-3,11H2,1H3,(H,17,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50045017
PNG
(2-[2-(3-Chloro-propoxy)-phenyl]-3H-imidazo[4,5-b]p...)
Show SMILES ClCCCOc1ccccc1-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C15H14ClN3O/c16-8-4-10-20-13-7-2-1-5-11(13)14-18-12-6-3-9-17-15(12)19-14/h1-3,5-7,9H,4,8,10H2,(H,17,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50045016
PNG
(2-(2-Isobutoxy-phenyl)-3H-imidazo[4,5-b]pyridine |...)
Show SMILES CC(C)COc1ccccc1-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C16H17N3O/c1-11(2)10-20-14-8-4-3-6-12(14)15-18-13-7-5-9-17-16(13)19-15/h3-9,11H,10H2,1-2H3,(H,17,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
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