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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 352.8
BDBM50340739
Wt: 481.9
BDBM50340740
Wt: 431.9
BDBM50340741
Wt: 442.9
BDBM50340742
Wt: 494.0
BDBM50340748
Wt: 493.0
BDBM50340752
Wt: 499.9
BDBM50412983
Wt: 514.0
BDBM50412984
Wt: 514.0
BDBM50412985
Wt: 510.5
BDBM50412987
Purchase
Wt: 479.5
BDBM50412988
Wt: 443.9
BDBM50412990
Wt: 455.9
BDBM50412991
Wt: 438.9
BDBM50412992
Wt: 520.0
BDBM50412998
Displayed 1 to 15 (of 52 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 51 hits in this display   
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 (5-HT2C)


(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 2C (5-HT2C)


(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
Serotonin receptor (2b and 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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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 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
Serotonin receptor (2b and 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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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
Serotonin receptor (2b and 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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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
Serotonin receptor (2b and 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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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 (5-HT2C)


(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 (5-HT6)


(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
Adrenergic alpha1B


(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
Adrenergic alpha1B


(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
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
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
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 (5-HT6)


(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
Serotonin receptor (2b and 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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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
Adrenergic alpha1B


(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
Beta-2 adrenergic receptor and beta-3 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 and beta-3 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 (5-HT2C)


(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 6 (5-HT6)


(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
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
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
Beta-2 adrenergic receptor and beta-3 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 2C (5-HT2C)


(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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340748
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES CCN(Cc1ccncc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C26H32ClN7O/c1-2-33(19-22-7-11-28-12-8-22)25(35)20-32-15-17-34(18-16-32)24-10-14-30-26(31-24)29-13-9-21-3-5-23(27)6-4-21/h3-8,10-12,14H,2,9,13,15-20H2,1H3,(H,29,30,31)
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n/an/a 244n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340741
PNG
(4-(2-(2-(4-chlorophenethylamino)pyrimidin-4-ylamin...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C20H22ClN5O2S/c21-17-5-1-15(2-6-17)10-13-24-20-25-14-11-19(26-20)23-12-9-16-3-7-18(8-4-16)29(22,27)28/h1-8,11,14H,9-10,12-13H2,(H2,22,27,28)(H2,23,24,25,26)
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n/an/a 301n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340752
PNG
(CHEMBL1762706 | N-benzyl-2-(4-(2-(4-chlorophenethy...)
Show SMILES CCN(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C27H33ClN6O/c1-2-33(20-23-6-4-3-5-7-23)26(35)21-32-16-18-34(19-17-32)25-13-15-30-27(31-25)29-14-12-22-8-10-24(28)11-9-22/h3-11,13,15H,2,12,14,16-21H2,1H3,(H,29,30,31)
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340740
PNG
(4-(2-(2-(4-chlorophenethylamino)quinazolin-4-ylami...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30)
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n/an/a 640n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340742
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
Show InChI InChI=1S/C23H31ClN6O/c24-20-6-4-19(5-7-20)8-10-25-23-26-11-9-21(27-23)29-16-14-28(15-17-29)18-22(31)30-12-2-1-3-13-30/h4-7,9,11H,1-3,8,10,12-18H2,(H,25,26,27)
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n/an/a 758n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50340739
PNG
(CHEMBL1762694 | N-(4-chlorophenethyl)-4-(pyrrolidi...)
Show SMILES Clc1ccc(CCNc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)11-12-22-20-23-18-6-2-1-5-17(18)19(24-20)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H,22,23,24)
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n/an/a 8.06E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412990
PNG
(CHEMBL456481)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCCCC1
Show InChI InChI=1S/C23H30ClN5O2/c1-16-18(8-5-9-19(16)27-22(30)17-6-3-2-4-7-17)15-29-23(31)21(24)20(14-26-29)28-12-10-25-11-13-28/h5,8-9,14,17,25H,2-4,6-7,10-13,15H2,1H3,(H,27,30)
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n/an/an/an/a 2.63E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412992
PNG
(CHEMBL457788)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1
Show InChI InChI=1S/C22H23ClN6O2/c1-15-17(4-2-6-18(15)27-21(30)16-5-3-7-25-12-16)14-29-22(31)20(23)19(13-26-29)28-10-8-24-9-11-28/h2-7,12-13,24H,8-11,14H2,1H3,(H,27,30)
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n/an/an/an/a 2.00E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
BDBM50412998
PNG
(CHEMBL476619)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(16-33-27(35)25(28)24(15-30-33)32-11-9-29-10-12-32)6-3-7-23(18)31-26(34)20-5-2-4-19(14-20)22-8-13-36-17-22/h2-8,13-15,17,29H,9-12,16H2,1H3,(H,31,34)
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n/an/an/an/a 4.17E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
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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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
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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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
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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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
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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n/an/an/an/a 4.07E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
Mas-related G-protein coupled receptor member X1


(Homo sapiens)
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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n/an/an/an/a 8.32E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay


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
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