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Compile Data Set for Download or QSAR

Found 1357 hits with Last Name = 'rivero' and Initial = 'ra'   
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412728
PNG
(CHEMBL521523)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1
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0.0316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 5915-8 (2008)


Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
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0.501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
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1.26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252353
PNG
(CHEMBL479413 | N-((S)-1-((S)-1-(3-bromo-4-(piperid...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C31H39BrN4O3S/c1-20(2)15-26(35-31(38)29-17-22-5-3-4-6-28(22)40-29)30(37)34-23-11-14-36(19-23)18-21-7-8-27(25(32)16-21)39-24-9-12-33-13-10-24/h3-8,16-17,20,23-24,26,33H,9-15,18-19H2,1-2H3,(H,34,37)(H,35,38)/t23-,26-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 by scintillatio...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413022
PNG
(CHEMBL497172)
Show SMILES CCCCCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H19N3/c1-2-3-6-10-17-16-15-12-7-4-5-8-13(12)19-14(15)9-11-18-16/h4-5,7-9,11,19H,2-3,6,10H2,1H3,(H,17,18)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413014
PNG
(CHEMBL497171)
Show SMILES CCCCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N3/c1-2-3-9-16-15-14-11-6-4-5-7-12(11)18-13(14)8-10-17-15/h4-8,10,18H,2-3,9H2,1H3,(H,16,17)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252659
PNG
((S)-N-(1-(3-bromo-4-(piperidin-4-yloxy)benzyl)pyrr...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [I125]hU2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252147
PNG
(CHEMBL482259 | N-((S)-1-((R)-3-bromo-4-((R)-pyrrol...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C22H24BrCl2N3O2/c23-18-9-14(1-4-21(18)30-17-5-7-26-11-17)12-28-8-6-16(13-28)27-22(29)15-2-3-19(24)20(25)10-15/h1-4,9-10,16-17,26H,5-8,11-13H2,(H,27,29)/t16-,17+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413021
PNG
(CHEMBL496920)
Show SMILES CCCCCCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C17H21N3/c1-2-3-4-7-11-18-17-16-13-8-5-6-9-14(13)20-15(16)10-12-19-17/h5-6,8-10,12,20H,2-4,7,11H2,1H3,(H,18,19)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413018
PNG
(CHEMBL497561)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)C1CC1
Show InChI InChI=1S/C15H15N3/c1-2-4-12-11(3-1)14-13(18-12)7-8-16-15(14)17-9-10-5-6-10/h1-4,7-8,10,18H,5-6,9H2,(H,16,17)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413026
PNG
(CHEMBL497562)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)C1CCCCC1
Show InChI InChI=1S/C18H21N3/c1-2-6-13(7-3-1)12-20-18-17-14-8-4-5-9-15(14)21-16(17)10-11-19-18/h4-5,8-11,13,21H,1-3,6-7,12H2,(H,19,20)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413020
PNG
(CHEMBL523566)
Show SMILES CCC(C)CNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H19N3/c1-3-11(2)10-18-16-15-12-6-4-5-7-13(12)19-14(15)8-9-17-16/h4-9,11,19H,3,10H2,1-2H3,(H,17,18)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252197
PNG
((S)-N-(1-(3-bromo-4-(piperidin-4-yloxy)phenethyl)p...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C24H28BrCl2N3O2/c25-20-13-16(1-4-23(20)32-19-5-9-28-10-6-19)7-11-30-12-8-18(15-30)29-24(31)17-2-3-21(26)22(27)14-17/h1-4,13-14,18-19,28H,5-12,15H2,(H,29,31)/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252355
PNG
(CHEMBL505360 | N-((S)-1-((S)-1-(3-bromo-4-(piperid...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(C1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1 |r|
Show InChI InChI=1S/C30H37BrN4O5S2/c1-19(2)15-25(34-30(37)28-16-20-5-3-4-6-27(20)41-28)29(36)33-21-11-14-35(18-21)42(38,39)23-7-8-26(24(31)17-23)40-22-9-12-32-13-10-22/h3-8,16-17,19,21-22,25,32H,9-15,18H2,1-2H3,(H,33,36)(H,34,37)/t21-,25-/m0/s1
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413017
PNG
(CHEMBL500880)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C18H15N3/c1-2-6-13(7-3-1)12-20-18-17-14-8-4-5-9-15(14)21-16(17)10-11-19-18/h1-11,21H,12H2,(H,19,20)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413019
PNG
(CHEMBL495937)
Show SMILES CC(C)CCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H19N3/c1-11(2)7-9-17-16-15-12-5-3-4-6-13(12)19-14(15)8-10-18-16/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,18)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413042
PNG
(CHEMBL495907)
Show SMILES CCOCCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N3O/c1-2-19-10-9-17-15-14-11-5-3-4-6-12(11)18-13(14)7-8-16-15/h3-8,18H,2,9-10H2,1H3,(H,16,17)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252198
PNG
((S)-N-(1-(3-chloro-4-(piperidin-4-yloxy)phenethyl)...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C24H28Cl3N3O2/c25-20-3-2-17(14-21(20)26)24(31)29-18-8-12-30(15-18)11-7-16-1-4-23(22(27)13-16)32-19-5-9-28-10-6-19/h1-4,13-14,18-19,28H,5-12,15H2,(H,29,31)/t18-/m0/s1
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252354
PNG
(CHEMBL517991 | N-((S)-1-((S)-1-((R)-3-bromo-4-((R)...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(CCc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C31H39BrN4O3S/c1-20(2)15-26(35-31(38)29-17-22-5-3-4-6-28(22)40-29)30(37)34-23-11-14-36(19-23)13-10-21-7-8-27(25(32)16-21)39-24-9-12-33-18-24/h3-8,16-17,20,23-24,26,33H,9-15,18-19H2,1-2H3,(H,34,37)(H,35,38)/t23-,24+,26-/m0/s1
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18n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413027
PNG
(CHEMBL522895)
Show SMILES COCCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C14H15N3O/c1-18-9-8-16-14-13-10-4-2-3-5-11(10)17-12(13)6-7-15-14/h2-7,17H,8-9H2,1H3,(H,15,16)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413016
PNG
(CHEMBL496516)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)c1cccs1
Show InChI InChI=1S/C16H13N3S/c1-2-6-13-12(5-1)15-14(19-13)7-8-17-16(15)18-10-11-4-3-9-20-11/h1-9,19H,10H2,(H,17,18)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413023
PNG
(CHEMBL509831)
Show SMILES CCCNc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C14H15N3/c1-2-8-15-14-13-10-5-3-4-6-11(10)17-12(13)7-9-16-14/h3-7,9,17H,2,8H2,1H3,(H,15,16)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413047
PNG
(CHEMBL497580)
Show SMILES CCCCNc1ccnc2[nH]c3c(OC)cccc3c12
Show InChI InChI=1S/C16H19N3O/c1-3-4-9-17-12-8-10-18-16-14(12)11-6-5-7-13(20-2)15(11)19-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19)
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252239
PNG
((S)-N-(1-(3-methoxy-4-(piperidin-4-yloxy)phenethyl...)
Show SMILES COc1cc(CCN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC1CCNCC1 |r|
Show InChI InChI=1S/C25H31Cl2N3O3/c1-32-24-14-17(2-5-23(24)33-20-6-10-28-11-7-20)8-12-30-13-9-19(16-30)29-25(31)18-3-4-21(26)22(27)15-18/h2-5,14-15,19-20,28H,6-13,16H2,1H3,(H,29,31)/t19-/m0/s1
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36n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50252659
PNG
((S)-N-(1-(3-bromo-4-(piperidin-4-yloxy)benzyl)pyrr...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1
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38n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252096
PNG
((+/-)-N-(1-(3-bromo-4-(1-methylpyrrolidin-3-yloxy)...)
Show SMILES CN1CCC(C1)Oc1ccc(CN2CCC(C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br
Show InChI InChI=1S/C23H26BrCl2N3O2/c1-28-8-7-18(14-28)31-22-5-2-15(10-19(22)24)12-29-9-6-17(13-29)27-23(30)16-3-4-20(25)21(26)11-16/h2-5,10-11,17-18H,6-9,12-14H2,1H3,(H,27,30)
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41n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252241
PNG
((S)-N-(1-(4-(piperidin-4-yloxy)phenethyl)pyrrolidi...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(CCc2ccc(OC3CCNCC3)cc2)C1 |r|
Show InChI InChI=1S/C24H29Cl2N3O2/c25-22-6-3-18(15-23(22)26)24(30)28-19-10-14-29(16-19)13-9-17-1-4-20(5-2-17)31-21-7-11-27-12-8-21/h1-6,15,19,21,27H,7-14,16H2,(H,28,30)/t19-/m0/s1
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42n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252148
PNG
(CHEMBL516606 | N-((S)-1-((S)-3-bromo-4-((S)-pyrrol...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(O[C@H]3CCNC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C22H24BrCl2N3O2/c23-18-9-14(1-4-21(18)30-17-5-7-26-11-17)12-28-8-6-16(13-28)27-22(29)15-2-3-19(24)20(25)10-15/h1-4,9-10,16-17,26H,5-8,11-13H2,(H,27,29)/t16-,17-/m0/s1
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44n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252095
PNG
((+/-)-N-(1-(3-chloro-4-(1-methylpyrrolidin-3-yloxy...)
Show SMILES CN1CCC(C1)Oc1ccc(CN2CCC(C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C23H26Cl3N3O2/c1-28-8-7-18(14-28)31-22-5-2-15(10-21(22)26)12-29-9-6-17(13-29)27-23(30)16-3-4-19(24)20(25)11-16/h2-5,10-11,17-18H,6-9,12-14H2,1H3,(H,27,30)
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47n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413015
PNG
(CHEMBL495918)
Show SMILES CCCCNc1nccc2n(C)c3ccccc3c12
Show InChI InChI=1S/C16H19N3/c1-3-4-10-17-16-15-12-7-5-6-8-13(12)19(2)14(15)9-11-18-16/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413038
PNG
(CHEMBL497579)
Show SMILES CCCCNc1ccnc2[nH]c3ccc(Cl)cc3c12
Show InChI InChI=1S/C15H16ClN3/c1-2-3-7-17-13-6-8-18-15-14(13)11-9-10(16)4-5-12(11)19-15/h4-6,8-9H,2-3,7H2,1H3,(H2,17,18,19)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252097
PNG
((S)-N-(1-(3-bromo-4-(3-(dimethylamino)propoxy)benz...)
Show SMILES CN(C)CCCOc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br |r|
Show InChI InChI=1S/C23H28BrCl2N3O2/c1-28(2)9-3-11-31-22-7-4-16(12-19(22)24)14-29-10-8-18(15-29)27-23(30)17-5-6-20(25)21(26)13-17/h4-7,12-13,18H,3,8-11,14-15H2,1-2H3,(H,27,30)/t18-/m0/s1
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61n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252199
PNG
((S)-N-(1-(3-fluoro-4-(piperidin-4-yloxy)phenethyl)...)
Show SMILES Fc1cc(CCN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC1CCNCC1 |r|
Show InChI InChI=1S/C24H28Cl2FN3O2/c25-20-3-2-17(14-21(20)26)24(31)29-18-8-12-30(15-18)11-7-16-1-4-23(22(27)13-16)32-19-5-9-28-10-6-19/h1-4,13-14,18-19,28H,5-12,15H2,(H,29,31)/t18-/m0/s1
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62n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413037
PNG
(CHEMBL497578)
Show SMILES CCCCNc1ccnc2[nH]c3ccc(C)cc3c12
Show InChI InChI=1S/C16H19N3/c1-3-4-8-17-14-7-9-18-16-15(14)12-10-11(2)5-6-13(12)19-16/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413033
PNG
(CHEMBL505353)
Show SMILES CCCCNc1nccc2n(C(C)C)c3ccccc3c12
Show InChI InChI=1S/C18H23N3/c1-4-5-11-19-18-17-14-8-6-7-9-15(14)21(13(2)3)16(17)10-12-20-18/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,20)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252240
PNG
((S)-N-(1-(3-nitro-4-(piperidin-4-yloxy)phenethyl)p...)
Show SMILES [O-][N+](=O)c1cc(CCN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC1CCNCC1 |r|
Show InChI InChI=1S/C24H28Cl2N4O4/c25-20-3-2-17(14-21(20)26)24(31)28-18-8-12-29(15-18)11-7-16-1-4-23(22(13-16)30(32)33)34-19-5-9-27-10-6-19/h1-4,13-14,18-19,27H,5-12,15H2,(H,28,31)/t18-/m0/s1
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69n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252311
PNG
((+/-)-N-(1-(3-bromo-4-(piperidin-4-yloxy)phenylsul...)
Show SMILES Clc1ccc(cc1Cl)C(=O)NC1CCCCN(C1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1
Show InChI InChI=1S/C24H28BrCl2N3O4S/c25-20-14-19(5-7-23(20)34-18-8-10-28-11-9-18)35(32,33)30-12-2-1-3-17(15-30)29-24(31)16-4-6-21(26)22(27)13-16/h4-7,13-14,17-18,28H,1-3,8-12,15H2,(H,29,31)
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71n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413045
PNG
(CHEMBL494934)
Show SMILES CCCCNc1ccnc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N3/c1-2-3-9-16-13-8-10-17-15-14(13)11-6-4-5-7-12(11)18-15/h4-8,10H,2-3,9H2,1H3,(H2,16,17,18)
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413028
PNG
(CHEMBL525759)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)C1CCCO1
Show InChI InChI=1S/C16H17N3O/c1-2-6-13-12(5-1)15-14(19-13)7-8-17-16(15)18-10-11-4-3-9-20-11/h1-2,5-8,11,19H,3-4,9-10H2,(H,17,18)
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50252659
PNG
((S)-N-(1-(3-bromo-4-(piperidin-4-yloxy)benzyl)pyrr...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1
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85n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2C receptor


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252041
PNG
((+/-)-N-(1-(4-(1-methylpyrrolidin-3-yloxy)benzyl)p...)
Show SMILES CN1CCC(C1)Oc1ccc(CN2CCC(C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-27-10-9-20(15-27)30-19-5-2-16(3-6-19)13-28-11-8-18(14-28)26-23(29)17-4-7-21(24)22(25)12-17/h2-7,12,18,20H,8-11,13-15H2,1H3,(H,26,29)
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97n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413041
PNG
(CHEMBL497765)
Show SMILES C(Cc1ccccc1)Nc1nccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C19H17N3/c1-2-6-14(7-3-1)10-12-20-19-18-15-8-4-5-9-16(15)22-17(18)11-13-21-19/h1-9,11,13,22H,10,12H2,(H,20,21)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413036
PNG
(CHEMBL497368)
Show SMILES C(Nc1ccnc2[nH]c3ccccc3c12)C1CC1
Show InChI InChI=1S/C15H15N3/c1-2-4-12-11(3-1)14-13(17-9-10-5-6-10)7-8-16-15(14)18-12/h1-4,7-8,10H,5-6,9H2,(H2,16,17,18)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50252659
PNG
((S)-N-(1-(3-bromo-4-(piperidin-4-yloxy)benzyl)pyrr...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252042
PNG
((+/-)-N-(1-(3-methyl-4-(1-methylpyrrolidin-3-yloxy...)
Show SMILES CN1CCC(C1)Oc1ccc(CN2CCC(C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1C
Show InChI InChI=1S/C24H29Cl2N3O2/c1-16-11-17(3-6-23(16)31-20-8-9-28(2)15-20)13-29-10-7-19(14-29)27-24(30)18-4-5-21(25)22(26)12-18/h3-6,11-12,19-20H,7-10,13-15H2,1-2H3,(H,27,30)
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108n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50240962
PNG
(Benzo[b]thiophene-2-carboxylic acid ((S)-1-{(R)-1-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 |r|
Show InChI InChI=1S/C31H42N4O3S/c1-22(2)18-27(33-31(37)29-19-24-8-5-6-9-28(24)39-29)30(36)32-25-14-16-35(21-25)20-23-10-12-26(13-11-23)38-17-7-15-34(3)4/h5-6,8-13,19,22,25,27H,7,14-18,20-21H2,1-4H3,(H,32,36)(H,33,37)/t25-,27-/m0/s1
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110n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
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