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10 similar compounds to monomer 50302245

Compile data set for download or QSAR
Wt: 542.6
BDBM50302239
Wt: 688.8
BDBM50302241
Wt: 688.8
BDBM50302242
Wt: 688.8
BDBM50302243
Wt: 584.7
BDBM50302247
Wt: 598.7
BDBM50302248
Wt: 612.7
BDBM50302249
Wt: 626.7
BDBM50302250
Wt: 700.8
BDBM50302253
Wt: 513.6
BDBM50302233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50302239,50302241,50302242,50302243,50302247,50302248,50302249,50302250,50302253,50302233   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302253
PNG
(CHEMBL567759 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1c(C)n[nH]c1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H44N6O6S/c1-24-35(25(2)40-39-24)50(46,47)38-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)43-36(44)29-13-9-14-31(34(29)37(43)45)42-21-19-41(20-22-42)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30,38H,10,15,18-22H2,1-5H3,(H,39,40)/t26-,30-/s2
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13n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302249
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12
Show InChI InChI=1/C30H36N4O6S2/c1-4-32-15-17-33(18-16-32)24-9-5-8-22-28(24)30(36)34(29(22)35)23(21-12-13-25(39-2)26(20-21)40-3)10-6-14-31-42(37,38)27-11-7-19-41-27/h5,7-9,11-13,19-20,23,31H,4,6,10,14-18H2,1-3H3/t23-/s2
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35n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302250
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O
Show InChI InChI=1/C31H38N4O6S2/c1-21(2)33-15-17-34(18-16-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-3)27(20-22)41-4)10-6-14-32-43(38,39)28-11-7-19-42-28/h5,7-9,11-13,19-21,24,32H,6,10,14-18H2,1-4H3/t24-/s2
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45n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302243
PNG
(CHEMBL568165 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29-/s2
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49n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302248
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiper...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(C)CC3)c2C1=O
Show InChI InChI=1/C29H34N4O6S2/c1-31-14-16-32(17-15-31)23-8-4-7-21-27(23)29(35)33(28(21)34)22(20-11-12-24(38-2)25(19-20)39-3)9-5-13-30-41(36,37)26-10-6-18-40-26/h4,6-8,10-12,18-19,22,30H,5,9,13-17H2,1-3H3/t22-/s2
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59n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302241
PNG
(CHEMBL568316 | N-(4-(3,4-dimethoxyphenyl)-4-(1,3-d...)
Show SMILES COc1ccc(cc1OC)C(CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29?/s2
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76n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302242
PNG
(CHEMBL565580 | N-((S)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29+/s2
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120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302247
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(pip...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCNCC3)c2C1=O
Show InChI InChI=1/C28H32N4O6S2/c1-37-23-11-10-19(18-24(23)38-2)21(8-4-12-30-40(35,36)25-9-5-17-39-25)32-27(33)20-6-3-7-22(26(20)28(32)34)31-15-13-29-14-16-31/h3,5-7,9-11,17-18,21,29-30H,4,8,12-16H2,1-2H3/t21-/s2
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150n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302233
PNG
(2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phen...)
Show SMILES CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/s2
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310n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302239
PNG
(2-(4-amino-1-(3,4-dimethoxyphenyl)butyl)-4-(4-((R)...)
Show SMILES COc1ccc(cc1OC)C(CCCN)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C32H38N4O4/c1-22(23-9-5-4-6-10-23)34-17-19-35(20-18-34)27-12-7-11-25-30(27)32(38)36(31(25)37)26(13-8-16-33)24-14-15-28(39-2)29(21-24)40-3/h4-7,9-12,14-15,21-22,26H,8,13,16-20,33H2,1-3H3/t22-,26?/s2
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3.20E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302241
PNG
(CHEMBL568316 | N-(4-(3,4-dimethoxyphenyl)-4-(1,3-d...)
Show SMILES COc1ccc(cc1OC)C(CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29?/s2
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n/an/a 250n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302242
PNG
(CHEMBL565580 | N-((S)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29+/s2
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n/an/a 260n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302243
PNG
(CHEMBL568165 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29-/s2
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n/an/a 240n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302247
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(pip...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCNCC3)c2C1=O
Show InChI InChI=1/C28H32N4O6S2/c1-37-23-11-10-19(18-24(23)38-2)21(8-4-12-30-40(35,36)25-9-5-17-39-25)32-27(33)20-6-3-7-22(26(20)28(32)34)31-15-13-29-14-16-31/h3,5-7,9-11,17-18,21,29-30H,4,8,12-16H2,1-2H3/t21-/s2
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n/an/a 500n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302248
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiper...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(C)CC3)c2C1=O
Show InChI InChI=1/C29H34N4O6S2/c1-31-14-16-32(17-15-31)23-8-4-7-21-27(23)29(35)33(28(21)34)22(20-11-12-24(38-2)25(19-20)39-3)9-5-13-30-41(36,37)26-10-6-18-40-26/h4,6-8,10-12,18-19,22,30H,5,9,13-17H2,1-3H3/t22-/s2
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n/an/a 220n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302249
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12
Show InChI InChI=1/C30H36N4O6S2/c1-4-32-15-17-33(18-16-32)24-9-5-8-22-28(24)30(36)34(29(22)35)23(21-12-13-25(39-2)26(20-21)40-3)10-6-14-31-42(37,38)27-11-7-19-41-27/h5,7-9,11-13,19-20,23,31H,4,6,10,14-18H2,1-3H3/t23-/s2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302250
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O
Show InChI InChI=1/C31H38N4O6S2/c1-21(2)33-15-17-34(18-16-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-3)27(20-22)41-4)10-6-14-32-43(38,39)28-11-7-19-42-28/h5,7-9,11-13,19-21,24,32H,6,10,14-18H2,1-4H3/t24-/s2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302253
PNG
(CHEMBL567759 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1c(C)n[nH]c1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H44N6O6S/c1-24-35(25(2)40-39-24)50(46,47)38-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)43-36(44)29-13-9-14-31(34(29)37(43)45)42-21-19-41(20-22-42)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30,38H,10,15,18-22H2,1-5H3,(H,39,40)/t26-,30-/s2
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302250
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O
Show InChI InChI=1/C31H38N4O6S2/c1-21(2)33-15-17-34(18-16-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-3)27(20-22)41-4)10-6-14-32-43(38,39)28-11-7-19-42-28/h5,7-9,11-13,19-21,24,32H,6,10,14-18H2,1-4H3/t24-/s2
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n/an/a 3.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302249
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12
Show InChI InChI=1/C30H36N4O6S2/c1-4-32-15-17-33(18-16-32)24-9-5-8-22-28(24)30(36)34(29(22)35)23(21-12-13-25(39-2)26(20-21)40-3)10-6-14-31-42(37,38)27-11-7-19-41-27/h5,7-9,11-13,19-20,23,31H,4,6,10,14-18H2,1-3H3/t23-/s2
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n/an/a 4.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302248
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiper...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(C)CC3)c2C1=O
Show InChI InChI=1/C29H34N4O6S2/c1-31-14-16-32(17-15-31)23-8-4-7-21-27(23)29(35)33(28(21)34)22(20-11-12-24(38-2)25(19-20)39-3)9-5-13-30-41(36,37)26-10-6-18-40-26/h4,6-8,10-12,18-19,22,30H,5,9,13-17H2,1-3H3/t22-/s2
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302247
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(pip...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCNCC3)c2C1=O
Show InChI InChI=1/C28H32N4O6S2/c1-37-23-11-10-19(18-24(23)38-2)21(8-4-12-30-40(35,36)25-9-5-17-39-25)32-27(33)20-6-3-7-22(26(20)28(32)34)31-15-13-29-14-16-31/h3,5-7,9-11,17-18,21,29-30H,4,8,12-16H2,1-2H3/t21-/s2
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n/an/a 40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302243
PNG
(CHEMBL568165 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29-/s2
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n/an/a 29n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302242
PNG
(CHEMBL565580 | N-((S)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29+/s2
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n/an/a 69n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302241
PNG
(CHEMBL568316 | N-(4-(3,4-dimethoxyphenyl)-4-(1,3-d...)
Show SMILES COc1ccc(cc1OC)C(CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29?/s2
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n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302253
PNG
(CHEMBL567759 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1c(C)n[nH]c1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H44N6O6S/c1-24-35(25(2)40-39-24)50(46,47)38-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)43-36(44)29-13-9-14-31(34(29)37(43)45)42-21-19-41(20-22-42)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30,38H,10,15,18-22H2,1-5H3,(H,39,40)/t26-,30-/s2
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n/an/a 47n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302233
PNG
(2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phen...)
Show SMILES CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/s2
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n/an/a 180n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302239
PNG
(2-(4-amino-1-(3,4-dimethoxyphenyl)butyl)-4-(4-((R)...)
Show SMILES COc1ccc(cc1OC)C(CCCN)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C32H38N4O4/c1-22(23-9-5-4-6-10-23)34-17-19-35(20-18-34)27-12-7-11-25-30(27)32(38)36(31(25)37)26(13-8-16-33)24-14-15-28(39-2)29(21-24)40-3/h4-7,9-12,14-15,21-22,26H,8,13,16-20,33H2,1-3H3/t22-,26?/s2
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n/an/a 200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair