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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'billard' and Initial = 'e'   
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))		BDBM50543457
PNG
(CHEMBL4635039)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C47H62IN9O10S2/c1-26(2)39(47(66)67)57-46(65)38-25-69-68-24-37(55-40(59)27(3)50)45(64)54-34(21-28-9-5-4-6-10-28)43(62)53-35(22-29-12-16-31(48)17-13-29)42(61)51-33(11-7-8-20-49)41(60)52-36(44(63)56-38)23-30-14-18-32(58)19-15-30/h4-6,9-10,12-19,26-27,33-39,58H,7-8,11,20-25,49-50H2,1-3H3,(H,51,61)(H,52,60)(H,53,62)(H,54,64)(H,55,59)(H,56,63)(H,57,65)(H,66,67)/t27-,33-,34-,35+,36-,37-,38-,39-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50543458
PNG
(CHEMBL4642307)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C53H67N9O10S2/c1-31(2)45(53(71)72)62-52(70)44-30-74-73-29-43(60-46(64)32(3)55)51(69)59-40(26-33-12-6-4-7-13-33)49(67)58-41(27-34-17-21-37(22-18-34)36-14-8-5-9-15-36)48(66)56-39(16-10-11-25-54)47(65)57-42(50(68)61-44)28-35-19-23-38(63)24-20-35/h4-9,12-15,17-24,31-32,39-45,63H,10-11,16,25-30,54-55H2,1-3H3,(H,56,66)(H,57,65)(H,58,67)(H,59,69)(H,60,64)(H,61,68)(H,62,70)(H,71,72)/t32-,39-,40-,41+,42-,43-,44-,45-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
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
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
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
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))		BDBM50543461
PNG
(CHEMBL4638346)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C54H69N9O11S2/c1-32(2)46(54(72)73)63-53(71)45-31-76-75-30-44(61-47(65)33(3)56)52(70)60-41(26-34-12-6-4-7-13-34)50(68)59-42(28-36-19-23-39(24-20-36)74-29-37-14-8-5-9-15-37)49(67)57-40(16-10-11-25-55)48(66)58-43(51(69)62-45)27-35-17-21-38(64)22-18-35/h4-9,12-15,17-24,32-33,40-46,64H,10-11,16,25-31,55-56H2,1-3H3,(H,57,67)(H,58,66)(H,59,68)(H,60,70)(H,61,65)(H,62,69)(H,63,71)(H,72,73)/t33-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50543459
PNG
(CHEMBL4643905)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C55H67N9O10S2/c1-33(2)47(55(73)74)64-54(72)46-32-76-75-31-45(62-48(66)34(3)57)53(71)61-42(28-37-14-8-5-9-15-37)51(69)60-43(29-38-21-19-36(20-22-38)18-17-35-12-6-4-7-13-35)50(68)58-41(16-10-11-27-56)49(67)59-44(52(70)63-46)30-39-23-25-40(65)26-24-39/h4-9,12-15,19-26,33-34,41-47,65H,10-11,16,27-32,56-57H2,1-3H3,(H,58,68)(H,59,67)(H,60,69)(H,61,71)(H,62,66)(H,63,70)(H,64,72)(H,73,74)/t34-,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 human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
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/a 19n/an/an/an/an/an/a



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))		BDBM50543462
PNG
(CHEMBL4633010)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccsc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C51H65N9O10S3/c1-29(2)43(51(69)70)60-50(68)42-28-73-72-27-41(58-44(62)30(3)53)49(67)57-38(23-31-9-5-4-6-10-31)47(65)56-39(24-32-12-16-34(17-13-32)35-20-22-71-26-35)46(64)54-37(11-7-8-21-52)45(63)55-40(48(66)59-42)25-33-14-18-36(61)19-15-33/h4-6,9-10,12-20,22,26,29-30,37-43,61H,7-8,11,21,23-25,27-28,52-53H2,1-3H3,(H,54,64)(H,55,63)(H,56,65)(H,57,67)(H,58,62)(H,59,66)(H,60,68)(H,69,70)/t30-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50543463
PNG
(CHEMBL4638745)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)-c2cccnc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C52H66N10O10S2/c1-30(2)44(52(71)72)62-51(70)43-29-74-73-28-42(60-45(64)31(3)54)50(69)59-39(24-32-10-5-4-6-11-32)48(67)58-40(25-33-14-18-35(19-15-33)36-12-9-23-55-27-36)47(66)56-38(13-7-8-22-53)46(65)57-41(49(68)61-43)26-34-16-20-37(63)21-17-34/h4-6,9-12,14-21,23,27,30-31,38-44,63H,7-8,13,22,24-26,28-29,53-54H2,1-3H3,(H,56,66)(H,57,65)(H,58,67)(H,59,69)(H,60,64)(H,61,68)(H,62,70)(H,71,72)/t31-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50543460
PNG
(CHEMBL4642313)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C59H71N9O10S2/c1-35(2)51(59(77)78)68-58(76)50-34-80-79-33-49(66-52(70)36(3)61)57(75)65-46(30-37-12-6-4-7-13-37)55(73)64-47(31-38-17-21-41(22-18-38)43-25-23-42(24-26-43)40-14-8-5-9-15-40)54(72)62-45(16-10-11-29-60)53(71)63-48(56(74)67-50)32-39-19-27-44(69)28-20-39/h4-9,12-15,17-28,35-36,45-51,69H,10-11,16,29-34,60-61H2,1-3H3,(H,62,72)(H,63,71)(H,64,73)(H,65,75)(H,66,70)(H,67,74)(H,68,76)(H,77,78)/t36-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50543464
PNG
(CHEMBL4635150)
Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccncc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C52H66N10O10S2/c1-30(2)44(52(71)72)62-51(70)43-29-74-73-28-42(60-45(64)31(3)54)50(69)59-39(25-32-9-5-4-6-10-32)48(67)58-40(26-33-12-16-35(17-13-33)36-20-23-55-24-21-36)47(66)56-38(11-7-8-22-53)46(65)57-41(49(68)61-43)27-34-14-18-37(63)19-15-34/h4-6,9-10,12-21,23-24,30-31,38-44,63H,7-8,11,22,25-29,53-54H2,1-3H3,(H,56,66)(H,57,65)(H,58,67)(H,59,69)(H,60,64)(H,61,68)(H,62,70)(H,71,72)/t31-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



Universit£ du Qu£bec

Curated by ChEMBL


Assay Description
Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method

ACS Med Chem Lett 11: 1717-1722 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00223
BindingDB Entry DOI: 10.7270/Q269775C
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/a<1.00E+3n/an/an/an/an/an/a



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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n/an/a<1.00E+3n/an/an/an/an/an/a



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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n/an/a<1.00E+3n/an/an/an/an/an/a



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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n/an/a<1.00E+3n/an/an/an/an/an/a



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


(RAT)		BDBM50269944
PNG
(CHEMBL4081970)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H32N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-21H,7,22-24,34H2,1H3/b21-16+
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n/an/an/an/a 3.20n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269945
PNG
(CHEMBL4092221)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C32H32N4O2/c1-38-28-17-13-24(14-18-28)15-19-30-29-10-4-5-11-31(29)35(32(37)36(34-30)21-7-6-20-33)23-25-12-16-26-8-2-3-9-27(26)22-25/h2-5,8-19,22H,6-7,20-21,23,33H2,1H3/b19-15+
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n/an/an/an/a 3.60n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269946
PNG
(CHEMBL4071437)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C34H34N4O2/c1-40-30-20-15-26(16-21-30)17-22-32-31-11-5-6-12-33(31)37(34(39)38(36-32)24-8-7-23-35)25-27-13-18-29(19-14-27)28-9-3-2-4-10-28/h2-6,9-22H,7-8,23-25,35H2,1H3/b22-17+
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n/an/an/an/a 3.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269947
PNG
(CHEMBL4062799)
Show SMILES Cl.NCCCN1N=C(\C=C\c2ccc(O)cc2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C32H30N4O2/c33-21-6-22-36-32(38)35(23-25-11-16-27(17-12-25)26-7-2-1-3-8-26)31-10-5-4-9-29(31)30(34-36)20-15-24-13-18-28(37)19-14-24/h1-5,7-20,37H,6,21-23,33H2/b20-15+
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n/an/an/an/a 17n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269949
PNG
(CHEMBL4074175)
Show SMILES Cl.NCCCCN1N=C(\C=C\c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C31H30N4O2/c32-19-5-6-20-35-31(37)34(22-24-11-15-25-7-1-2-8-26(25)21-24)30-10-4-3-9-28(30)29(33-35)18-14-23-12-16-27(36)17-13-23/h1-4,7-18,21,36H,5-6,19-20,22,32H2/b18-14+
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n/an/an/an/a 15n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269950
PNG
(CHEMBL4100932)
Show SMILES Cl.NCCCCN1N=C(\C=C\c2ccc(O)cc2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C33H32N4O2/c34-22-6-7-23-37-33(39)36(24-26-12-17-28(18-13-26)27-8-2-1-3-9-27)32-11-5-4-10-30(32)31(35-37)21-16-25-14-19-29(38)20-15-25/h1-5,8-21,38H,6-7,22-24,34H2/b21-16+
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n/an/an/an/a 17n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269951
PNG
(CHEMBL4069649)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H34N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-15,17-20H,7,16,21-24,34H2,1H3
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269952
PNG
(CHEMBL4085539)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C32H34N4O2/c1-38-28-17-13-24(14-18-28)15-19-30-29-10-4-5-11-31(29)35(32(37)36(34-30)21-7-6-20-33)23-25-12-16-26-8-2-3-9-27(26)22-25/h2-5,8-14,16-18,22H,6-7,15,19-21,23,33H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269953
PNG
(CHEMBL4103468)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C34H36N4O2/c1-40-30-20-15-26(16-21-30)17-22-32-31-11-5-6-12-33(31)37(34(39)38(36-32)24-8-7-23-35)25-27-13-18-29(19-14-27)28-9-3-2-4-10-28/h2-6,9-16,18-21H,7-8,17,22-25,35H2,1H3
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n/an/an/an/a 3.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269954
PNG
(CHEMBL4077689)
Show SMILES Cl.NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:5|
Show InChI InChI=1S/C30H30N4O2/c31-18-5-19-34-30(36)33(21-23-10-14-24-6-1-2-7-25(24)20-23)29-9-4-3-8-27(29)28(32-34)17-13-22-11-15-26(35)16-12-22/h1-4,6-12,14-16,20,35H,5,13,17-19,21,31H2
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n/an/an/an/a 3.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269955
PNG
(CHEMBL4066696)
Show SMILES Cl.NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C31H32N4O2/c32-19-5-6-20-35-31(37)34(22-24-11-15-25-7-1-2-8-26(25)21-24)30-10-4-3-9-28(30)29(33-35)18-14-23-12-16-27(36)17-13-23/h1-4,7-13,15-17,21,36H,5-6,14,18-20,22,32H2
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n/an/an/an/a 4.40n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269956
PNG
(CHEMBL4087993)
Show SMILES Cl.NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C33H34N4O2/c34-22-6-7-23-37-33(39)36(24-26-12-17-28(18-13-26)27-8-2-1-3-9-27)32-11-5-4-10-30(32)31(35-37)21-16-25-14-19-29(38)20-15-25/h1-5,8-15,17-20,38H,6-7,16,21-24,34H2
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n/an/an/an/a 3.5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269957
PNG
(CHEMBL4068478)
Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C33H31N5OS/c34-21-8-22-38-33(39)37(23-24-15-17-26(18-16-24)25-9-2-1-3-10-25)30-13-6-4-11-27(30)28(36-38)19-20-32-35-29-12-5-7-14-31(29)40-32/h1-7,9-18H,8,19-23,34H2
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n/an/an/an/a 1.40n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269958
PNG
(CHEMBL4076985)
Show SMILES Cl.NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C34H33N5OS/c35-22-8-9-23-39-34(40)38(24-25-16-18-27(19-17-25)26-10-2-1-3-11-26)31-14-6-4-12-28(31)29(37-39)20-21-33-36-30-13-5-7-15-32(30)41-33/h1-7,10-19H,8-9,20-24,35H2
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n/an/an/an/a 12n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269959
PNG
(CHEMBL4064003)
Show SMILES Cl.CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:7|
Show InChI InChI=1S/C35H35N5OS/c1-36-23-9-10-24-40-35(41)39(25-26-17-19-28(20-18-26)27-11-3-2-4-12-27)32-15-7-5-13-29(32)30(38-40)21-22-34-37-31-14-6-8-16-33(31)42-34/h2-8,11-20,36H,9-10,21-25H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269960
PNG
(CHEMBL4076150)
Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:5|
Show InChI InChI=1S/C31H29N5OS/c32-18-7-19-36-31(37)35(21-22-14-15-23-8-1-2-9-24(23)20-22)28-12-5-3-10-25(28)26(34-36)16-17-30-33-27-11-4-6-13-29(27)38-30/h1-6,8-15,20H,7,16-19,21,32H2
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n/an/an/an/a 3.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269964
PNG
(CHEMBL4077479)
Show SMILES Cl.NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O |t:6|
Show InChI InChI=1S/C32H31N5OS/c33-20-7-8-21-37-32(38)36(22-24-12-9-11-23-10-1-2-13-25(23)24)29-16-5-3-14-26(29)27(35-37)18-19-31-34-28-15-4-6-17-30(28)39-31/h1-6,9-17H,7-8,18-22,33H2
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n/an/an/an/a 5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269967
PNG
(CHEMBL4096184)
Show SMILES Cl.CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:7|
Show InChI InChI=1S/C33H33N5OS/c1-34-20-8-9-21-38-33(39)37(23-24-16-17-25-10-2-3-11-26(25)22-24)30-14-6-4-12-27(30)28(36-38)18-19-32-35-29-13-5-7-15-31(29)40-32/h2-7,10-17,22,34H,8-9,18-21,23H2,1H3
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n/an/an/an/a 4.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269968
PNG
(CHEMBL4087877)
Show SMILES Cl.CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O |t:7|
Show InChI InChI=1S/C33H33N5OS/c1-34-21-8-9-22-38-33(39)37(23-25-13-10-12-24-11-2-3-14-26(24)25)30-17-6-4-15-27(30)28(36-38)19-20-32-35-29-16-5-7-18-31(29)40-32/h2-7,10-18,34H,8-9,19-23H2,1H3
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n/an/an/an/a 4.10n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269969
PNG
(CHEMBL4060368)
Show SMILES Cl.NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C32H31N5OS/c33-19-7-8-20-37-32(38)36(22-23-15-16-24-9-1-2-10-25(24)21-23)29-13-5-3-11-26(29)27(35-37)17-18-31-34-28-12-4-6-14-30(28)39-31/h1-6,9-16,21H,7-8,17-20,22,33H2
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n/an/an/an/a 3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269944
PNG
(CHEMBL4081970)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H32N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-21H,7,22-24,34H2,1H3/b21-16+
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n/an/an/an/a 13n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269945
PNG
(CHEMBL4092221)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C32H32N4O2/c1-38-28-17-13-24(14-18-28)15-19-30-29-10-4-5-11-31(29)35(32(37)36(34-30)21-7-6-20-33)23-25-12-16-26-8-2-3-9-27(26)22-25/h2-5,8-19,22H,6-7,20-21,23,33H2,1H3/b19-15+
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n/an/an/an/a 8.5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269946
PNG
(CHEMBL4071437)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C34H34N4O2/c1-40-30-20-15-26(16-21-30)17-22-32-31-11-5-6-12-33(31)37(34(39)38(36-32)24-8-7-23-35)25-27-13-18-29(19-14-27)28-9-3-2-4-10-28/h2-6,9-22H,7-8,23-25,35H2,1H3/b22-17+
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n/an/an/an/a 6.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269947
PNG
(CHEMBL4062799)
Show SMILES Cl.NCCCN1N=C(\C=C\c2ccc(O)cc2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C32H30N4O2/c33-21-6-22-36-32(38)35(23-25-11-16-27(17-12-25)26-7-2-1-3-8-26)31-10-5-4-9-29(31)30(34-36)20-15-24-13-18-28(37)19-14-24/h1-5,7-20,37H,6,21-23,33H2/b20-15+
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n/an/an/an/a 10n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269949
PNG
(CHEMBL4074175)
Show SMILES Cl.NCCCCN1N=C(\C=C\c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C31H30N4O2/c32-19-5-6-20-35-31(37)34(22-24-11-15-25-7-1-2-8-26(25)21-24)30-10-4-3-9-28(30)29(33-35)18-14-23-12-16-27(36)17-13-23/h1-4,7-18,21,36H,5-6,19-20,22,32H2/b18-14+
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n/an/an/an/a 14n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269950
PNG
(CHEMBL4100932)
Show SMILES Cl.NCCCCN1N=C(\C=C\c2ccc(O)cc2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C33H32N4O2/c34-22-6-7-23-37-33(39)36(24-26-12-17-28(18-13-26)27-8-2-1-3-9-27)32-11-5-4-10-30(32)31(35-37)21-16-25-14-19-29(38)20-15-25/h1-5,8-21,38H,6-7,22-24,34H2/b21-16+
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n/an/an/an/a 9.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269970
PNG
(CHEMBL4065552)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C31H32N4O2/c1-37-27-16-12-23(13-17-27)14-18-29-28-9-4-5-10-30(28)34(31(36)35(33-29)20-6-19-32)22-24-11-15-25-7-2-3-8-26(25)21-24/h2-5,7-13,15-17,21H,6,14,18-20,22,32H2,1H3
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n/an/an/an/a 6.30n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269953
PNG
(CHEMBL4103468)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C34H36N4O2/c1-40-30-20-15-26(16-21-30)17-22-32-31-11-5-6-12-33(31)37(34(39)38(36-32)24-8-7-23-35)25-27-13-18-29(19-14-27)28-9-3-2-4-10-28/h2-6,9-16,18-21H,7-8,17,22-25,35H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269954
PNG
(CHEMBL4077689)
Show SMILES Cl.NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:5|
Show InChI InChI=1S/C30H30N4O2/c31-18-5-19-34-30(36)33(21-23-10-14-24-6-1-2-7-25(24)20-23)29-9-4-3-8-27(29)28(32-34)17-13-22-11-15-26(35)16-12-22/h1-4,6-12,14-16,20,35H,5,13,17-19,21,31H2
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n/an/an/an/a 10n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269980
PNG
(CHEMBL4095707)
Show SMILES Cl.NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C32H32N4O2/c33-21-6-22-36-32(38)35(23-25-11-16-27(17-12-25)26-7-2-1-3-8-26)31-10-5-4-9-29(31)30(34-36)20-15-24-13-18-28(37)19-14-24/h1-5,7-14,16-19,37H,6,15,20-23,33H2
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n/an/an/an/a 11n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269955
PNG
(CHEMBL4066696)
Show SMILES Cl.NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C31H32N4O2/c32-19-5-6-20-35-31(37)34(22-24-11-15-25-7-1-2-8-26(25)21-24)30-10-4-3-9-28(30)29(33-35)18-14-23-12-16-27(36)17-13-23/h1-4,7-13,15-17,21,36H,5-6,14,18-20,22,32H2
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n/an/an/an/a 10n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)		BDBM50269957
PNG
(CHEMBL4068478)
Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C33H31N5OS/c34-21-8-22-38-33(39)37(23-24-15-17-26(18-16-24)25-9-2-1-3-10-25)30-13-6-4-11-27(30)28(36-38)19-20-32-35-29-12-5-7-14-31(29)40-32/h1-7,9-18H,8,19-23,34H2
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Article
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n/an/an/an/a 3.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...

J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
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