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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'aiyar' and Initial = 'nv'   
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
Urotensin II receptor


(HUMAN)
BDBM50244020
PNG
(4'-[1-({2-[Cyanomethyl-(3,4-dichloro-phenyl)-amino...)
Show SMILES CN(C(CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H31Cl2N5O2/c1-35(29(38)20-37(16-13-33)25-11-12-26(31)27(32)18-25)28(19-36-14-2-3-15-36)22-9-7-21(8-10-22)23-5-4-6-24(17-23)30(34)39/h4-12,17-18,28H,2-3,14-16,19-20H2,1H3,(H2,34,39)
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0.300n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377218
PNG
(CHEMBL257171)
Show SMILES Cc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C28H35N3O3/c1-20-15-24-26(16-21(20)2)34-19-28(33)31(24)18-27(32)30-14-8-11-23(22-9-4-3-5-10-22)25(30)17-29-12-6-7-13-29/h3-5,9-10,15-16,23,25H,6-8,11-14,17-19H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377220
PNG
(CHEMBL255509)
Show SMILES Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C26H29Cl2N3O3/c27-20-13-22-24(14-21(20)28)34-17-26(33)31(22)16-25(32)30-12-6-9-19(18-7-2-1-3-8-18)23(30)15-29-10-4-5-11-29/h1-3,7-8,13-14,19,23H,4-6,9-12,15-17H2
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377217
PNG
(CHEMBL256989)
Show SMILES Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O2/c27-20-13-22-23(14-21(20)28)32(25(33)15-29-22)17-26(34)31-12-6-9-19(18-7-2-1-3-8-18)24(31)16-30-10-4-5-11-30/h1-3,7-8,13-15,19,24H,4-6,9-12,16-17H2
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377215
PNG
(CHEMBL257415)
Show SMILES Cc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C28H34N4O2/c1-20-15-24-25(16-21(20)2)32(27(33)17-29-24)19-28(34)31-14-8-11-23(22-9-4-3-5-10-22)26(31)18-30-12-6-7-13-30/h3-5,9-10,15-17,23,26H,6-8,11-14,18-19H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377227
PNG
(CHEMBL255462)
Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1
Show InChI InChI=1S/C25H28ClN3O2S/c26-19-10-11-23-21(15-19)29(25(31)32-23)17-24(30)28-14-6-9-20(18-7-2-1-3-8-18)22(28)16-27-12-4-5-13-27/h1-3,7-8,10-11,15,20,22H,4-6,9,12-14,16-17H2
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1.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377219
PNG
(CHEMBL402520)
Show SMILES Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C26H29Cl2N3O4/c27-20-13-22-24(14-21(20)28)35-17-26(33)31(22)16-25(32)30-8-4-7-19(18-5-2-1-3-6-18)23(30)15-29-9-11-34-12-10-29/h1-3,5-6,13-14,19,23H,4,7-12,15-17H2
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377224
PNG
(CHEMBL257767)
Show SMILES Clc1ccc(cc1Cl)N(CC#N)CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C26H30Cl2N4O/c27-23-11-10-21(17-24(23)28)31(16-12-29)19-26(33)32-15-6-9-22(20-7-2-1-3-8-20)25(32)18-30-13-4-5-14-30/h1-3,7-8,10-11,17,22,25H,4-6,9,13-16,18-19H2
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377216
PNG
(CHEMBL256988)
Show SMILES Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c27-20-13-22-23(14-21(20)28)32(25(33)15-29-22)17-26(34)31-8-4-7-19(18-5-2-1-3-6-18)24(31)16-30-9-11-35-12-10-30/h1-3,5-6,13-15,19,24H,4,7-12,16-17H2
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50244019
PNG
(4'-[1-({2-[(3,4-Dichloro-phenyl)-(2-methoxy-ethyl)...)
Show SMILES COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(30(38)21-37(17-18-40-2)26-13-14-27(32)28(33)19-26)29(20-36-15-3-4-16-36)24-9-5-22(6-10-24)23-7-11-25(12-8-23)31(34)39/h5-14,19,29H,3-4,15-18,20-21H2,1-2H3,(H2,34,39)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50244022
PNG
(CHEMBL449192 | N-[1-(4'-Acetylamino-biphenyl-4-yl)...)
Show SMILES CN(C(CN1CCOCC1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)COc2cc(C)c(C)cc12
Show InChI InChI=1S/C33H38N4O5/c1-22-17-29-31(18-23(22)2)42-21-33(40)37(29)20-32(39)35(4)30(19-36-13-15-41-16-14-36)27-7-5-25(6-8-27)26-9-11-28(12-10-26)34-24(3)38/h5-12,17-18,30H,13-16,19-21H2,1-4H3,(H,34,38)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50244021
PNG
(4'-(1-{[2-(6,7-Dichloro-2-oxo-2H-quinoxalin-1-yl)-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(Cl)c(Cl)cc2ncc1=O
Show InChI InChI=1S/C31H31Cl2N5O4/c1-34-31(41)23-5-3-4-22(14-23)20-6-8-21(9-7-20)28(18-37-10-12-42-13-11-37)36(2)30(40)19-38-27-16-25(33)24(32)15-26(27)35-17-29(38)39/h3-9,14-17,28H,10-13,18-19H2,1-2H3,(H,34,41)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50244065
PNG
(2-(6,7-Dichloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C30H31Cl2N3O5/c1-33(29(36)18-35-26-15-24(31)25(32)16-28(26)40-19-30(35)37)27(17-34-10-12-39-13-11-34)21-8-6-20(7-9-21)22-4-3-5-23(14-22)38-2/h3-9,14-16,27H,10-13,17-19H2,1-2H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377214
PNG
(CHEMBL256721)
Show SMILES Cc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C28H34N4O3/c1-20-15-24-25(16-21(20)2)32(27(33)17-29-24)19-28(34)31-10-6-9-23(22-7-4-3-5-8-22)26(31)18-30-11-13-35-14-12-30/h3-5,7-8,15-17,23,26H,6,9-14,18-19H2,1-2H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377229
PNG
(CHEMBL257150)
Show SMILES Clc1ccc2oc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1
Show InChI InChI=1S/C25H28ClN3O3/c26-19-10-11-23-21(15-19)29(25(31)32-23)17-24(30)28-14-6-9-20(18-7-2-1-3-8-18)22(28)16-27-12-4-5-13-27/h1-3,7-8,10-11,15,20,22H,4-6,9,12-14,16-17H2
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377226
PNG
(CHEMBL255460)
Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2c1
Show InChI InChI=1S/C25H28ClN3O3S/c26-19-8-9-23-21(15-19)29(25(31)33-23)17-24(30)28-10-4-7-20(18-5-2-1-3-6-18)22(28)16-27-11-13-32-14-12-27/h1-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50239135
PNG
(2-((3,4-dichlorophenyl)(methyl)amino)-1-((2R,3R)-3...)
Show SMILES CN(CC(=O)N1CCC[C@@H]([C@@H]1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3/t21-,24+/m1/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377223
PNG
(CHEMBL258251)
Show SMILES Clc1ccc(cc1Cl)N(CC#N)CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C26H30Cl2N4O2/c27-23-9-8-21(17-24(23)28)31(12-10-29)19-26(33)32-11-4-7-22(20-5-2-1-3-6-20)25(32)18-30-13-15-34-16-14-30/h1-3,5-6,8-9,17,22,25H,4,7,11-16,18-19H2
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50244018
PNG
(4'-(1-{[2-(6,7-Dimethyl-2-oxo-2H-quinoxalin-1-yl)-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(C)c(C)cc2ncc1=O
Show InChI InChI=1S/C33H37N5O4/c1-22-16-28-29(17-23(22)2)38(31(39)19-35-28)21-32(40)36(4)30(20-37-12-14-42-15-13-37)25-10-8-24(9-11-25)26-6-5-7-27(18-26)33(41)34-3/h5-11,16-19,30H,12-15,20-21H2,1-4H3,(H,34,41)
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PubMed
6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377222
PNG
(CHEMBL256937)
Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H35Cl2N3O2/c1-34-17-16-31(22-11-12-24(28)25(29)18-22)20-27(33)32-15-7-10-23(21-8-3-2-4-9-21)26(32)19-30-13-5-6-14-30/h2-4,8-9,11-12,18,23,26H,5-7,10,13-17,19-20H2,1H3
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243970
PNG
((+/-)N-(1-Biphenyl-4-yl-2-morpholin-4-yl-ethyl)-2-...)
Show SMILES CN(C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C29H29Cl2N3O4/c1-32(28(35)18-34-25-15-23(30)24(31)16-27(25)38-19-29(34)36)26(17-33-11-13-37-14-12-33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,15-16,26H,11-14,17-19H2,1H3
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243919
PNG
((R)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl...)
Show SMILES CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O/c1-25(18-10-11-19(23)20(24)14-18)16-22(28)26(2)21(15-27-12-6-7-13-27)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15-16H2,1-2H3/t21-/m0/s1
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243868
PNG
((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-meth...)
Show SMILES CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O/c1-25(18-10-11-19(23)20(24)14-18)16-22(28)26(2)21(15-27-12-6-7-13-27)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15-16H2,1-2H3
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243971
PNG
(CHEMBL453075 | N-((R)-1-Biphenyl-4-yl-2-morpholin-...)
Show SMILES CN([C@@H](CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C29H29Cl2N3O4/c1-32(28(35)18-34-25-15-23(30)24(31)16-27(25)38-19-29(34)36)26(17-33-11-13-37-14-12-33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,15-16,26H,11-14,17-19H2,1H3/t26-/m0/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50240153
PNG
((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-1-(3-p...)
Show SMILES CN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50240153
PNG
((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-1-(3-p...)
Show SMILES CN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243921
PNG
(CHEMBL488642 | N-(1-Biphenyl-4-yl-2-pyrrolidin-1-y...)
Show SMILES CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2N3O/c1-31(24-14-15-25(29)26(30)18-24)20-28(34)32(2)27(19-33-16-6-7-17-33)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-15,18,27H,6-7,16-17,19-20H2,1-2H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377228
PNG
(CHEMBL404289)
Show SMILES Clc1ccc2oc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2c1
Show InChI InChI=1S/C25H28ClN3O4/c26-19-8-9-23-21(15-19)29(25(31)33-23)17-24(30)28-10-4-7-20(18-5-2-1-3-6-18)22(28)16-27-11-13-32-14-12-27/h1-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245983
PNG
((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1
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70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377225
PNG
(CHEMBL402805)
Show SMILES CN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-28(20-9-10-22(26)23(27)16-20)18-25(31)30-11-5-8-21(19-6-3-2-4-7-19)24(30)17-29-12-14-32-15-13-29/h2-4,6-7,9-10,16,21,24H,5,8,11-15,17-18H2,1H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50246518
PNG
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245937
PNG
((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245772
PNG
((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50377221
PNG
(CHEMBL402813)
Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3
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130n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245982
PNG
((2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methy...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H31N3O3/c1-5-24-18(2)26(28-19-11-7-6-8-12-19)23-13-9-10-14-25(23)30(24)27(31)29-20-15-21(32-3)17-22(16-20)33-4/h6-18,24,26,28H,5H2,1-4H3,(H,29,31)/t18-,24-,26+/m1/s1
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245934
PNG
((2R,3S,4S)-N-(4-chlorophenyl)-2-ethyl-3-methyl-4-(...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-9-5-4-6-10-19)21-11-7-8-12-23(21)29(22)25(30)28-20-15-13-18(26)14-16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1
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300n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245835
PNG
((2R,3S,4S)-N-(3-chlorophenyl)-2-ethyl-3-methyl-4-(...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1
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300n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50246516
PNG
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1
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400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50246517
PNG
((4-chlorophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(ph...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1
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400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245981
PNG
((2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamin...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H27N3O/c1-3-22-18(2)24(26-19-12-6-4-7-13-19)21-16-10-11-17-23(21)28(22)25(29)27-20-14-8-5-9-15-20/h4-18,22,24,26H,3H2,1-2H3,(H,27,29)/t18-,22-,24+/m1/s1
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400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50246468
PNG
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H25N3O3/c1-3-22-17(2)24(26-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27(22)25(29)18-13-15-20(16-14-18)28(30)31/h4-17,22,24,26H,3H2,1-2H3/t17-,22-,24+/m1/s1
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500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245935
PNG
((2R,3S,4S)-2-ethyl-N-(3-methoxyphenyl)-3-methyl-4-...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(OC)c1
Show InChI InChI=1S/C26H29N3O2/c1-4-23-18(2)25(27-19-11-6-5-7-12-19)22-15-8-9-16-24(22)29(23)26(30)28-20-13-10-14-21(17-20)31-3/h5-18,23,25,27H,4H2,1-3H3,(H,28,30)/t18-,23-,25+/m1/s1
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500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50244017
PNG
(CHEMBL452808 | N-((S)-1-Biphenyl-4-yl-2-morpholin-...)
Show SMILES CN([C@H](CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C29H29Cl2N3O4/c1-32(28(35)18-34-25-15-23(30)24(31)16-27(25)38-19-29(34)36)26(17-33-11-13-37-14-12-33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,15-16,26H,11-14,17-19H2,1H3/t26-/m1/s1
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630n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243969
PNG
(CHEMBL452298 | N-(1-Biphenyl-4-yl-2-morpholin-4-yl...)
Show SMILES CN(CC(=O)N(C)C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2N3O2/c1-31(24-12-13-25(29)26(30)18-24)20-28(34)32(2)27(19-33-14-16-35-17-15-33)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-13,18,27H,14-17,19-20H2,1-2H3
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630n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245984
PNG
(CHEMBL516508 | cis-(2(R)-ethyl-4-(phenylamino)-3,4...)
Show SMILES CC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26N2O2/c1-3-20-17-23(26-19-9-5-4-6-10-19)22-11-7-8-12-24(22)27(20)25(28)18-13-15-21(29-2)16-14-18/h4-16,20,23,26H,3,17H2,1-2H3/t20-,23+/m1/s1
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800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50241424
PNG
(2-((3,4-dichlorophenyl)(methyl)amino)-1-((2S,3S)-3...)
Show SMILES CN(CC(=O)N1CCC[C@H]([C@H]1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3/t21-,24+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50243920
PNG
((S)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl...)
Show SMILES CN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O/c1-25(18-10-11-19(23)20(24)14-18)16-22(28)26(2)21(15-27-12-6-7-13-27)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15-16H2,1-2H3/t21-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50243868
PNG
((+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-N-meth...)
Show SMILES CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O/c1-25(18-10-11-19(23)20(24)14-18)16-22(28)26(2)21(15-27-12-6-7-13-27)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15-16H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50377221
PNG
(CHEMBL402813)
Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3
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n/an/a 480n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
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