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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50045185   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048691
PNG
(CHEMBL3315139)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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=1/C52H68N10O12S2/c1-28(2)42(51(73)74)61-49(71)40-27-75-76-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(63)20-18-30/h5-9,12-15,17-20,26,28,34,36-40,42-43,55,63H,10-11,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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0.200n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50320463
PNG
(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
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](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
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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0.251n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048696
PNG
(CHEMBL3315142)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C56H70N10O11S2/c1-31(2)46(55(76)77)65-53(74)44-30-78-79-56(3,4)47(66-48(69)38(58)28-45(67)68)54(75)63-41(25-32-15-6-5-7-16-32)50(71)62-43(27-35-29-59-39-22-11-10-21-37(35)39)51(72)60-40(23-12-13-24-57)49(70)61-42(52(73)64-44)26-34-19-14-18-33-17-8-9-20-36(33)34/h5-11,14-22,29,31,38,40-44,46-47,59H,12-13,23-28,30,57-58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,75)(H,64,73)(H,65,74)(H,66,69)(H,67,68)(H,76,77)/t38-,40-,41-,42-,43-,44-,46-,47+/s2
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0.398n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048695
PNG
(CHEMBL3315141)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C55H68N10O11S2/c1-30(2)45(54(75)76)64-52(73)43-29-77-78-55(3,4)46(65-47(68)37(57)27-44(66)67)53(74)62-40(24-31-13-6-5-7-14-31)49(70)61-42(26-35-28-58-38-18-11-10-17-36(35)38)51(72)59-39(19-12-22-56)48(69)60-41(50(71)63-43)25-32-20-21-33-15-8-9-16-34(33)23-32/h5-11,13-18,20-21,23,28,30,37,39-43,45-46,58H,12,19,22,24-27,29,56-57H2,1-4H3,(H,59,72)(H,60,69)(H,61,70)(H,62,74)(H,63,71)(H,64,73)(H,65,68)(H,66,67)(H,75,76)/t37-,39-,40-,41-,42+,43-,45-,46+/s2
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0.724n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048701
PNG
(CHEMBL3315148)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H66Cl2N10O11S2/c1-27(2)42(51(74)75)63-49(72)40-26-76-77-52(3,4)43(64-44(67)34(56)24-41(65)66)50(73)61-37(21-28-12-6-5-7-13-28)46(69)60-39(23-30-25-57-35-15-9-8-14-31(30)35)48(71)58-36(16-10-11-19-55)45(68)59-38(47(70)62-40)22-29-17-18-32(53)33(54)20-29/h5-9,12-15,17-18,20,25,27,34,36-40,42-43,57H,10-11,16,19,21-24,26,55-56H2,1-4H3,(H,58,71)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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0.776n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413784
PNG
(UROTENSIN-II)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)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/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42+,43+,44+,45+,46+,47+,48+,49-,52+,53+/m1/s1
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0.794n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048700
PNG
(CHEMBL3315147)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C51H65ClN10O11S2/c1-27(2)41(50(72)73)61-48(70)39-26-74-75-51(3,4)42(62-43(65)33(54)24-40(63)64)49(71)59-37(21-28-11-6-5-7-12-28)45(67)58-38(23-30-25-55-34-14-9-8-13-32(30)34)47(69)56-35(15-10-20-53)44(66)57-36(46(68)60-39)22-29-16-18-31(52)19-17-29/h5-9,11-14,16-19,25,27,33,35-39,41-42,55H,10,15,20-24,26,53-54H2,1-4H3,(H,56,69)(H,57,66)(H,58,67)(H,59,71)(H,60,68)(H,61,70)(H,62,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42+/s2
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1n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048699
PNG
(CHEMBL3315146)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(Cl)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H67ClN10O11S2/c1-28(2)42(51(73)74)62-49(71)40-27-75-76-52(3,4)43(63-44(66)34(55)25-41(64)65)50(72)60-38(22-29-12-6-5-7-13-29)46(68)59-39(24-31-26-56-35-15-9-8-14-33(31)35)48(70)57-36(16-10-11-21-54)45(67)58-37(47(69)61-40)23-30-17-19-32(53)20-18-30/h5-9,12-15,17-20,26,28,34,36-40,42-43,56H,10-11,16,21-25,27,54-55H2,1-4H3,(H,57,70)(H,58,67)(H,59,68)(H,60,72)(H,61,69)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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1.20n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048697
PNG
(CHEMBL3315144)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C53H67N11O11S3/c1-28(2)43(52(74)75)63-50(72)39-27-76-78-53(3,4)44(64-45(67)32(55)24-42(65)66)51(73)61-36(22-29-14-6-5-7-15-29)47(69)59-37(23-30-26-56-33-17-9-8-16-31(30)33)48(70)58-35(19-12-13-21-54)46(68)60-38(49(71)62-39)25-41-57-34-18-10-11-20-40(34)77-41/h5-11,14-18,20,26,28,32,35-39,43-44,56H,12-13,19,21-25,27,54-55H2,1-4H3,(H,58,70)(H,59,69)(H,60,68)(H,61,73)(H,62,71)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t32-,35-,36-,37-,38-,39-,43-,44+/s2
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1.70n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048703
PNG
(CHEMBL3315150)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(cc2)C#N)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C53H67N11O11S2/c1-29(2)43(52(74)75)63-50(72)41-28-76-77-53(3,4)44(64-45(67)35(56)25-42(65)66)51(73)61-39(22-30-12-6-5-7-13-30)47(69)60-40(24-33-27-57-36-15-9-8-14-34(33)36)49(71)58-37(16-10-11-21-54)46(68)59-38(48(70)62-41)23-31-17-19-32(26-55)20-18-31/h5-9,12-15,17-20,27,29,35,37-41,43-44,57H,10-11,16,21-25,28,54,56H2,1-4H3,(H,58,71)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t35-,37-,38-,39-,40-,41-,43-,44+/s2
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1.80n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048705
PNG
(CHEMBL3315152)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(cc2)[N+]([O-])=O)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H67N11O13S2/c1-28(2)42(51(73)74)61-49(71)40-27-77-78-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(20-18-30)63(75)76/h5-9,12-15,17-20,26,28,34,36-40,42-43,55H,10-11,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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1.80n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048692
PNG
(CHEMBL3315140)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C56H70N10O11S2/c1-31(2)46(55(76)77)65-53(74)44-30-78-79-56(3,4)47(66-48(69)38(58)28-45(67)68)54(75)63-41(25-32-14-6-5-7-15-32)50(71)62-43(27-36-29-59-39-19-11-10-18-37(36)39)52(73)60-40(20-12-13-23-57)49(70)61-42(51(72)64-44)26-33-21-22-34-16-8-9-17-35(34)24-33/h5-11,14-19,21-22,24,29,31,38,40-44,46-47,59H,12-13,20,23,25-28,30,57-58H2,1-4H3,(H,60,73)(H,61,70)(H,62,71)(H,63,75)(H,64,72)(H,65,74)(H,66,69)(H,67,68)(H,76,77)/t38-,40-,41-,42-,43-,44-,46-,47+/s2
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2n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048702
PNG
(CHEMBL3315149)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C51H64Cl2N10O11S2/c1-26(2)41(50(73)74)62-48(71)39-25-75-76-51(3,4)42(63-43(66)33(55)23-40(64)65)49(72)60-36(20-27-11-6-5-7-12-27)45(68)59-38(22-29-24-56-34-14-9-8-13-30(29)34)47(70)57-35(15-10-18-54)44(67)58-37(46(69)61-39)21-28-16-17-31(52)32(53)19-28/h5-9,11-14,16-17,19,24,26,33,35-39,41-42,56H,10,15,18,20-23,25,54-55H2,1-4H3,(H,57,70)(H,58,67)(H,59,68)(H,60,72)(H,61,69)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t33-,35-,36-,37-,38+,39-,41-,42+/s2
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2.20n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50411333
PNG
(URANTIDE)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C51H66N10O12S2/c1-27(2)41(50(72)73)60-48(70)39-26-74-75-51(3,4)42(61-43(65)33(53)24-40(63)64)49(71)58-37(21-28-11-6-5-7-12-28)45(67)57-38(23-30-25-54-34-14-9-8-13-32(30)34)47(69)55-35(15-10-20-52)44(66)56-36(46(68)59-39)22-29-16-18-31(62)19-17-29/h5-9,11-14,16-19,25,27,33,35-39,41-42,54,62H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42-/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048690
PNG
(CHEMBL3315143)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C55H68N10O11S2/c1-30(2)45(54(75)76)64-52(73)43-29-77-78-55(3,4)46(65-47(68)37(57)27-44(66)67)53(74)62-40(24-31-14-6-5-7-15-31)49(70)61-42(26-34-28-58-38-21-11-10-20-36(34)38)50(71)59-39(22-13-23-56)48(69)60-41(51(72)63-43)25-33-18-12-17-32-16-8-9-19-35(32)33/h5-12,14-21,28,30,37,39-43,45-46,58H,13,22-27,29,56-57H2,1-4H3,(H,59,71)(H,60,69)(H,61,70)(H,62,74)(H,63,72)(H,64,73)(H,65,68)(H,66,67)(H,75,76)/t37-,39-,40-,41-,42+,43-,45-,46+/s2
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6.5n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048704
PNG
(CHEMBL3315151)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H65N11O11S2/c1-28(2)42(51(73)74)62-49(71)40-27-75-76-52(3,4)43(63-44(66)34(55)24-41(64)65)50(72)60-38(21-29-11-6-5-7-12-29)46(68)59-39(23-32-26-56-35-14-9-8-13-33(32)35)48(70)57-36(15-10-20-53)45(67)58-37(47(69)61-40)22-30-16-18-31(25-54)19-17-30/h5-9,11-14,16-19,26,28,34,36-40,42-43,56H,10,15,20-24,27,53,55H2,1-4H3,(H,57,70)(H,58,67)(H,59,68)(H,60,72)(H,61,69)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39+,40-,42-,43+/s2
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12n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048698
PNG
(CHEMBL3315145)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H65N11O11S3/c1-27(2)42(51(73)74)62-49(71)38-26-75-77-52(3,4)43(63-44(66)31(54)23-41(64)65)50(72)60-35(21-28-13-6-5-7-14-28)46(68)58-36(22-29-25-55-32-16-9-8-15-30(29)32)47(69)57-34(18-12-20-53)45(67)59-37(48(70)61-38)24-40-56-33-17-10-11-19-39(33)76-40/h5-11,13-17,19,25,27,31,34-38,42-43,55H,12,18,20-24,26,53-54H2,1-4H3,(H,57,69)(H,58,68)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t31-,34-,35-,36+,37-,38-,42-,43+/s2
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13n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50048706
PNG
(CHEMBL3315153)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C51H65N11O13S2/c1-27(2)41(50(72)73)60-48(70)39-26-76-77-51(3,4)42(61-43(65)33(53)24-40(63)64)49(71)58-37(21-28-11-6-5-7-12-28)45(67)57-38(23-30-25-54-34-14-9-8-13-32(30)34)47(69)55-35(15-10-20-52)44(66)56-36(46(68)59-39)22-29-16-18-31(19-17-29)62(74)75/h5-9,11-14,16-19,25,27,33,35-39,41-42,54H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42+/s2
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17n/an/an/an/an/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50320463
PNG
(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
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](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
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048691
PNG
(CHEMBL3315139)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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=1/C52H68N10O12S2/c1-28(2)42(51(73)74)61-49(71)40-27-75-76-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(63)20-18-30/h5-9,12-15,17-20,26,28,34,36-40,42-43,55,63H,10-11,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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n/an/an/an/a 0.398n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048692
PNG
(CHEMBL3315140)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C56H70N10O11S2/c1-31(2)46(55(76)77)65-53(74)44-30-78-79-56(3,4)47(66-48(69)38(58)28-45(67)68)54(75)63-41(25-32-14-6-5-7-15-32)50(71)62-43(27-36-29-59-39-19-11-10-18-37(36)39)52(73)60-40(20-12-13-23-57)49(70)61-42(51(72)64-44)26-33-21-22-34-16-8-9-17-35(34)24-33/h5-11,14-19,21-22,24,29,31,38,40-44,46-47,59H,12-13,20,23,25-28,30,57-58H2,1-4H3,(H,60,73)(H,61,70)(H,62,71)(H,63,75)(H,64,72)(H,65,74)(H,66,69)(H,67,68)(H,76,77)/t38-,40-,41-,42-,43-,44-,46-,47+/s2
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n/an/an/an/a 0.724n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048695
PNG
(CHEMBL3315141)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C55H68N10O11S2/c1-30(2)45(54(75)76)64-52(73)43-29-77-78-55(3,4)46(65-47(68)37(57)27-44(66)67)53(74)62-40(24-31-13-6-5-7-14-31)49(70)61-42(26-35-28-58-38-18-11-10-17-36(35)38)51(72)59-39(19-12-22-56)48(69)60-41(50(71)63-43)25-32-20-21-33-15-8-9-16-34(33)23-32/h5-11,13-18,20-21,23,28,30,37,39-43,45-46,58H,12,19,22,24-27,29,56-57H2,1-4H3,(H,59,72)(H,60,69)(H,61,70)(H,62,74)(H,63,71)(H,64,73)(H,65,68)(H,66,67)(H,75,76)/t37-,39-,40-,41-,42+,43-,45-,46+/s2
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n/an/an/an/a 3.80n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048696
PNG
(CHEMBL3315142)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C56H70N10O11S2/c1-31(2)46(55(76)77)65-53(74)44-30-78-79-56(3,4)47(66-48(69)38(58)28-45(67)68)54(75)63-41(25-32-15-6-5-7-16-32)50(71)62-43(27-35-29-59-39-22-11-10-21-37(35)39)51(72)60-40(23-12-13-24-57)49(70)61-42(52(73)64-44)26-34-19-14-18-33-17-8-9-20-36(33)34/h5-11,14-22,29,31,38,40-44,46-47,59H,12-13,23-28,30,57-58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,75)(H,64,73)(H,65,74)(H,66,69)(H,67,68)(H,76,77)/t38-,40-,41-,42-,43-,44-,46-,47+/s2
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n/an/an/an/a 5n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048698
PNG
(CHEMBL3315145)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H65N11O11S3/c1-27(2)42(51(73)74)62-49(71)38-26-75-77-52(3,4)43(63-44(66)31(54)23-41(64)65)50(72)60-35(21-28-13-6-5-7-14-28)46(68)58-36(22-29-25-55-32-16-9-8-15-30(29)32)47(69)57-34(18-12-20-53)45(67)59-37(48(70)61-38)24-40-56-33-17-10-11-19-39(33)76-40/h5-11,13-17,19,25,27,31,34-38,42-43,55H,12,18,20-24,26,53-54H2,1-4H3,(H,57,69)(H,58,68)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t31-,34-,35-,36+,37-,38-,42-,43+/s2
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n/an/an/an/a 34n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048697
PNG
(CHEMBL3315144)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C53H67N11O11S3/c1-28(2)43(52(74)75)63-50(72)39-27-76-78-53(3,4)44(64-45(67)32(55)24-42(65)66)51(73)61-36(22-29-14-6-5-7-15-29)47(69)59-37(23-30-26-56-33-17-9-8-16-31(30)33)48(70)58-35(19-12-13-21-54)46(68)60-38(49(71)62-39)25-41-57-34-18-10-11-20-40(34)77-41/h5-11,14-18,20,26,28,32,35-39,43-44,56H,12-13,19,21-25,27,54-55H2,1-4H3,(H,58,70)(H,59,69)(H,60,68)(H,61,73)(H,62,71)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t32-,35-,36-,37-,38-,39-,43-,44+/s2
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n/an/an/an/a 0.0195n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048699
PNG
(CHEMBL3315146)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(Cl)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H67ClN10O11S2/c1-28(2)42(51(73)74)62-49(71)40-27-75-76-52(3,4)43(63-44(66)34(55)25-41(64)65)50(72)60-38(22-29-12-6-5-7-13-29)46(68)59-39(24-31-26-56-35-15-9-8-14-33(31)35)48(70)57-36(16-10-11-21-54)45(67)58-37(47(69)61-40)23-30-17-19-32(53)20-18-30/h5-9,12-15,17-20,26,28,34,36-40,42-43,56H,10-11,16,21-25,27,54-55H2,1-4H3,(H,57,70)(H,58,67)(H,59,68)(H,60,72)(H,61,69)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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n/an/an/an/a 0.813n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048700
PNG
(CHEMBL3315147)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C51H65ClN10O11S2/c1-27(2)41(50(72)73)61-48(70)39-26-74-75-51(3,4)42(62-43(65)33(54)24-40(63)64)49(71)59-37(21-28-11-6-5-7-12-28)45(67)58-38(23-30-25-55-34-14-9-8-13-32(30)34)47(69)56-35(15-10-20-53)44(66)57-36(46(68)60-39)22-29-16-18-31(52)19-17-29/h5-9,11-14,16-19,25,27,33,35-39,41-42,55H,10,15,20-24,26,53-54H2,1-4H3,(H,56,69)(H,57,66)(H,58,67)(H,59,71)(H,60,68)(H,61,70)(H,62,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42+/s2
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n/an/an/an/a 2.70n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048701
PNG
(CHEMBL3315148)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H66Cl2N10O11S2/c1-27(2)42(51(74)75)63-49(72)40-26-76-77-52(3,4)43(64-44(67)34(56)24-41(65)66)50(73)61-37(21-28-12-6-5-7-13-28)46(69)60-39(23-30-25-57-35-15-9-8-14-31(30)35)48(71)58-36(16-10-11-19-55)45(68)59-38(47(70)62-40)22-29-17-18-32(53)33(54)20-29/h5-9,12-15,17-18,20,25,27,34,36-40,42-43,57H,10-11,16,19,21-24,26,55-56H2,1-4H3,(H,58,71)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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n/an/an/an/a 0.0126n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048702
PNG
(CHEMBL3315149)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C51H64Cl2N10O11S2/c1-26(2)41(50(73)74)62-48(71)39-25-75-76-51(3,4)42(63-43(66)33(55)23-40(64)65)49(72)60-36(20-27-11-6-5-7-12-27)45(68)59-38(22-29-24-56-34-14-9-8-13-30(29)34)47(70)57-35(15-10-18-54)44(67)58-37(46(69)61-39)21-28-16-17-31(52)32(53)19-28/h5-9,11-14,16-17,19,24,26,33,35-39,41-42,56H,10,15,18,20-23,25,54-55H2,1-4H3,(H,57,70)(H,58,67)(H,59,68)(H,60,72)(H,61,69)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t33-,35-,36-,37-,38+,39-,41-,42+/s2
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n/an/an/an/a 13n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048703
PNG
(CHEMBL3315150)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(cc2)C#N)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C53H67N11O11S2/c1-29(2)43(52(74)75)63-50(72)41-28-76-77-53(3,4)44(64-45(67)35(56)25-42(65)66)51(73)61-39(22-30-12-6-5-7-13-30)47(69)60-40(24-33-27-57-36-15-9-8-14-34(33)36)49(71)58-37(16-10-11-21-54)46(68)59-38(48(70)62-41)23-31-17-19-32(26-55)20-18-31/h5-9,12-15,17-20,27,29,35,37-41,43-44,57H,10-11,16,21-25,28,54,56H2,1-4H3,(H,58,71)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t35-,37-,38-,39-,40-,41-,43-,44+/s2
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n/an/an/an/a 1.10n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50413784
PNG
(UROTENSIN-II)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)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/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42+,43+,44+,45+,46+,47+,48+,49-,52+,53+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048705
PNG
(CHEMBL3315152)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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(cc2)[N+]([O-])=O)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H67N11O13S2/c1-28(2)42(51(73)74)61-49(71)40-27-77-78-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(20-18-30)63(75)76/h5-9,12-15,17-20,26,28,34,36-40,42-43,55H,10-11,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/s2
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n/an/an/an/a 0.631n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50048690
PNG
(CHEMBL3315143)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C55H68N10O11S2/c1-30(2)45(54(75)76)64-52(73)43-29-77-78-55(3,4)46(65-47(68)37(57)27-44(66)67)53(74)62-40(24-31-14-6-5-7-15-31)49(70)61-42(26-34-28-58-38-21-11-10-20-36(34)38)50(71)59-39(22-13-23-56)48(69)60-41(51(72)63-43)25-33-18-12-17-32-16-8-9-19-35(32)33/h5-12,14-21,28,30,37,39-43,45-46,58H,13,22-27,29,56-57H2,1-4H3,(H,59,71)(H,60,69)(H,61,70)(H,62,74)(H,63,72)(H,64,73)(H,65,68)(H,66,67)(H,75,76)/t37-,39-,40-,41-,42+,43-,45-,46+/s2
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n/an/an/an/a 18n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair