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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50002493   
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-2 receptor


(Homo sapiens (Human))
BDBM50459265
PNG
(CHEMBL4205274)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459266
PNG
(CHEMBL4217514)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50445383
PNG
(CHEMBL3104471)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459268
PNG
(CHEMBL4213101)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459267
PNG
(CHEMBL4209654)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459262
PNG
(CHEMBL4213538)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459264
PNG
(CHEMBL4216988)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50445383
PNG
(CHEMBL3104471)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 145n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459262
PNG
(CHEMBL4213538)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1
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n/an/an/an/a 123n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459264
PNG
(CHEMBL4216988)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459268
PNG
(CHEMBL4213101)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459262
PNG
(CHEMBL4213538)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459264
PNG
(CHEMBL4216988)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459268
PNG
(CHEMBL4213101)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459268
PNG
(CHEMBL4213101)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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n/an/an/an/a 54n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459267
PNG
(CHEMBL4209654)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 3.55E+3n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459266
PNG
(CHEMBL4217514)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459266
PNG
(CHEMBL4217514)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 182n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459267
PNG
(CHEMBL4209654)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459267
PNG
(CHEMBL4209654)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459266
PNG
(CHEMBL4217514)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459265
PNG
(CHEMBL4205274)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459261
PNG
(CHEMBL4208184)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459266
PNG
(CHEMBL4217514)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50445383
PNG
(CHEMBL3104471)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 91n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459268
PNG
(CHEMBL4213101)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 148n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459267
PNG
(CHEMBL4209654)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 6.80n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459263
PNG
(CHEMBL4204786)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H63IN10O10S2/c1-26(2)41(49(69)70)60-48(68)40-25-72-71-24-39(58-42(62)27(3)52)47(67)56-36(20-28-11-15-31(50)16-12-28)44(64)57-38(22-30-23-53-34-9-5-4-8-33(30)34)46(66)54-35(10-6-7-19-51)43(63)55-37(45(65)59-40)21-29-13-17-32(61)18-14-29/h4-5,8-9,11-18,23,26-27,35-41,53,61H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,62)(H,59,65)(H,60,68)(H,69,70)/t27-,35+,36+,37+,38+,39+,40+,41+/m1/s1
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n/an/an/an/a 355n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459265
PNG
(CHEMBL4205274)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50445383
PNG
(CHEMBL3104471)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50445383
PNG
(CHEMBL3104471)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459262
PNG
(CHEMBL4213538)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459265
PNG
(CHEMBL4205274)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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n/an/an/an/a 191n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459262
PNG
(CHEMBL4213538)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50459262
PNG
(CHEMBL4213538)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459267
PNG
(CHEMBL4209654)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 1.15E+3n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50459264
PNG
(CHEMBL4216988)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...


J Med Chem 61: 8707-8716 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57
More data for this
Ligand-Target Pair
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