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Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'gomez-monterrey' and Initial = 'i'   
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))
BDBM50413761
PNG
(CHEMBL390094)
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=1S/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-/m0/s1
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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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413760
PNG
(CHEMBL426020)
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 |r|
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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
BDBM50413764
PNG
(CHEMBL504097)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)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/C57H72N10O10S2/c1-33(2)47(56(76)77)66-54(74)46-32-78-79-57(3,4)48(67-49(69)40(59)27-34-15-7-5-8-16-34)55(75)64-44(28-35-17-9-6-10-18-35)51(71)63-45(30-37-31-60-41-20-12-11-19-39(37)41)53(73)61-42(21-13-14-26-58)50(70)62-43(52(72)65-46)29-36-22-24-38(68)25-23-36/h5-12,15-20,22-25,31,33,40,42-48,60,68H,13-14,21,26-30,32,58-59H2,1-4H3,(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,69)(H,76,77)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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0.282n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
BDBM50378580
PNG
(CHEMBL437430)
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
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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413762
PNG
(CHEMBL509604)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[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/C51H68N10O10S2/c1-28(2)41(50(70)71)60-48(68)40-27-72-73-51(4,5)42(61-43(63)29(3)53)49(69)58-38(23-30-13-7-6-8-14-30)45(65)57-39(25-32-26-54-35-16-10-9-15-34(32)35)47(67)55-36(17-11-12-22-52)44(64)56-37(46(66)59-40)24-31-18-20-33(62)21-19-31/h6-10,13-16,18-21,26,28-29,36-42,54,62H,11-12,17,22-25,27,52-53H2,1-5H3,(H,55,67)(H,56,64)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,63)(H,70,71)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
BDBM50413766
PNG
(CHEMBL510618)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)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/C57H71ClN10O10S2/c1-32(2)47(56(77)78)67-54(75)46-31-79-80-57(3,4)48(68-49(70)40(60)26-34-17-21-37(58)22-18-34)55(76)65-44(27-33-12-6-5-7-13-33)51(72)64-45(29-36-30-61-41-15-9-8-14-39(36)41)53(74)62-42(16-10-11-25-59)50(71)63-43(52(73)66-46)28-35-19-23-38(69)24-20-35/h5-9,12-15,17-24,30,32,40,42-48,61,69H,10-11,16,25-29,31,59-60H2,1-4H3,(H,62,74)(H,63,71)(H,64,72)(H,65,76)(H,66,73)(H,67,75)(H,68,70)(H,77,78)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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0.891n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
BDBM50413763
PNG
(CHEMBL448403)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[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](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H66N10O10S2/c1-27(2)40(49(69)70)59-47(67)39-26-71-72-50(4,5)41(60-42(62)28(3)52)48(68)57-37(22-29-12-7-6-8-13-29)44(64)56-38(24-31-25-53-34-15-10-9-14-33(31)34)46(66)54-35(16-11-21-51)43(63)55-36(45(65)58-39)23-30-17-19-32(61)20-18-30/h6-10,12-15,17-20,25,27-28,35-41,53,61H,11,16,21-24,26,51-52H2,1-5H3,(H,54,66)(H,55,63)(H,56,64)(H,57,68)(H,58,65)(H,59,67)(H,60,62)(H,69,70)/t28-,35-,36-,37-,38+,39-,40-,41-/m0/s1
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1.66n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
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))
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
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50413777
PNG
(CHEMBL524855)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)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/C58H72N10O10S2/c1-33(2)48(57(77)78)67-55(75)47-32-79-80-58(3,4)49(68-51(71)43-28-36-16-8-9-17-37(36)30-61-43)56(76)65-45(26-34-14-6-5-7-15-34)52(72)64-46(29-38-31-60-41-19-11-10-18-40(38)41)54(74)62-42(20-12-13-25-59)50(70)63-44(53(73)66-47)27-35-21-23-39(69)24-22-35/h5-11,14-19,21-24,31,33,42-49,60-61,69H,12-13,20,25-30,32,59H2,1-4H3,(H,62,74)(H,63,70)(H,64,72)(H,65,76)(H,66,73)(H,67,75)(H,68,71)(H,77,78)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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2.63n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413769
PNG
(CHEMBL507406)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2cccc3ccccc23)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/C60H72N10O10S2/c1-34(2)50(59(79)80)69-57(77)49-33-81-82-60(3,4)51(70-52(72)43(62)30-38-18-12-17-37-16-8-9-19-41(37)38)58(78)67-47(28-35-14-6-5-7-15-35)54(74)66-48(31-39-32-63-44-21-11-10-20-42(39)44)56(76)64-45(22-13-27-61)53(73)65-46(55(75)68-49)29-36-23-25-40(71)26-24-36/h5-12,14-21,23-26,32,34,43,45-51,63,71H,13,22,27-31,33,61-62H2,1-4H3,(H,64,76)(H,65,73)(H,66,74)(H,67,78)(H,68,75)(H,69,77)(H,70,72)(H,79,80)/t43-,45-,46-,47-,48+,49-,50-,51-/m0/s1
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3.89n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
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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5.01n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413770
PNG
(CHEMBL452403)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)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/C61H74N10O10S2/c1-35(2)51(60(80)81)70-58(78)50-34-82-83-61(3,4)52(71-53(73)44(63)29-38-21-24-39-16-8-9-17-40(39)28-38)59(79)68-48(30-36-14-6-5-7-15-36)55(75)67-49(32-41-33-64-45-19-11-10-18-43(41)45)57(77)65-46(20-12-13-27-62)54(74)66-47(56(76)69-50)31-37-22-25-42(72)26-23-37/h5-11,14-19,21-26,28,33,35,44,46-52,64,72H,12-13,20,27,29-32,34,62-63H2,1-4H3,(H,65,77)(H,66,74)(H,67,75)(H,68,79)(H,69,76)(H,70,78)(H,71,73)(H,80,81)/t44-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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6.46n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
BDBM50413775
PNG
(CHEMBL501794)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCN)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/C54H75N11O10S2/c1-31(2)44(53(74)75)64-51(72)43-30-76-77-54(3,4)45(65-46(67)37(57)17-10-12-24-55)52(73)62-41(26-32-14-6-5-7-15-32)48(69)61-42(28-34-29-58-38-18-9-8-16-36(34)38)50(71)59-39(19-11-13-25-56)47(68)60-40(49(70)63-43)27-33-20-22-35(66)23-21-33/h5-9,14-16,18,20-23,29,31,37,39-45,58,66H,10-13,17,19,24-28,30,55-57H2,1-4H3,(H,59,71)(H,60,68)(H,61,69)(H,62,73)(H,63,70)(H,64,72)(H,65,67)(H,74,75)/t37-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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9.33n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413774
PNG
(CHEMBL509009)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)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/C57H70N10O10S2/c1-32(2)47(56(76)77)66-54(74)46-31-78-79-57(3,4)48(67-50(70)42-27-35-15-8-9-16-36(35)29-60-42)55(75)64-44(25-33-13-6-5-7-14-33)51(71)63-45(28-37-30-59-40-18-11-10-17-39(37)40)53(73)61-41(19-12-24-58)49(69)62-43(52(72)65-46)26-34-20-22-38(68)23-21-34/h5-11,13-18,20-23,30,32,41-48,59-60,68H,12,19,24-29,31,58H2,1-4H3,(H,61,73)(H,62,69)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,70)(H,76,77)/t41-,42-,43-,44-,45+,46-,47-,48-/m0/s1
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9.33n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413767
PNG
(CHEMBL504723)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)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/C56H69ClN10O10S2/c1-31(2)46(55(76)77)66-53(74)45-30-78-79-56(3,4)47(67-48(69)39(59)25-33-16-20-36(57)21-17-33)54(75)64-43(26-32-11-6-5-7-12-32)50(71)63-44(28-35-29-60-40-14-9-8-13-38(35)40)52(73)61-41(15-10-24-58)49(70)62-42(51(72)65-45)27-34-18-22-37(68)23-19-34/h5-9,11-14,16-23,29,31,39,41-47,60,68H,10,15,24-28,30,58-59H2,1-4H3,(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,69)(H,76,77)/t39-,41-,42-,43-,44+,45-,46-,47-/m0/s1
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9.55n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50084679
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17?,18-,19-/m0/s1
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11n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413771
PNG
(CHEMBL509042)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)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/C60H72N10O10S2/c1-34(2)50(59(79)80)69-57(77)49-33-81-82-60(3,4)51(70-52(72)43(62)28-37-20-23-38-15-8-9-16-39(38)27-37)58(78)67-47(29-35-13-6-5-7-14-35)54(74)66-48(31-40-32-63-44-18-11-10-17-42(40)44)56(76)64-45(19-12-26-61)53(73)65-46(55(75)68-49)30-36-21-24-41(71)25-22-36/h5-11,13-18,20-25,27,32,34,43,45-51,63,71H,12,19,26,28-31,33,61-62H2,1-4H3,(H,64,76)(H,65,73)(H,66,74)(H,67,78)(H,68,75)(H,69,77)(H,70,72)(H,79,80)/t43-,45-,46-,47-,48+,49-,50-,51-/m0/s1
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11.8n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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))
BDBM50413772
PNG
(CHEMBL508811)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)[N+]([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=1S/C57H71N11O12S2/c1-32(2)47(56(77)78)66-54(75)46-31-81-82-57(3,4)48(67-49(70)40(59)26-34-17-21-37(22-18-34)68(79)80)55(76)64-44(27-33-12-6-5-7-13-33)51(72)63-45(29-36-30-60-41-15-9-8-14-39(36)41)53(74)61-42(16-10-11-25-58)50(71)62-43(52(73)65-46)28-35-19-23-38(69)24-20-35/h5-9,12-15,17-24,30,32,40,42-48,60,69H,10-11,16,25-29,31,58-59H2,1-4H3,(H,61,74)(H,62,71)(H,63,72)(H,64,76)(H,65,73)(H,66,75)(H,67,70)(H,77,78)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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13.5n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413773
PNG
(CHEMBL500949)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)[N+]([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/C56H69N11O12S2/c1-31(2)46(55(76)77)65-53(74)45-30-80-81-56(3,4)47(66-48(69)39(58)25-33-16-20-36(21-17-33)67(78)79)54(75)63-43(26-32-11-6-5-7-12-32)50(71)62-44(28-35-29-59-40-14-9-8-13-38(35)40)52(73)60-41(15-10-24-57)49(70)61-42(51(72)64-45)27-34-18-22-37(68)23-19-34/h5-9,11-14,16-23,29,31,39,41-47,59,68H,10,15,24-28,30,57-58H2,1-4H3,(H,60,73)(H,61,70)(H,62,71)(H,63,75)(H,64,72)(H,65,74)(H,66,69)(H,76,77)/t39-,41-,42-,43-,44+,45-,46-,47-/m0/s1
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15.8n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413765
PNG
(CHEMBL501579)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)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/C56H70N10O10S2/c1-32(2)46(55(75)76)65-53(73)45-31-77-78-56(3,4)47(66-48(68)39(58)26-33-14-7-5-8-15-33)54(74)63-43(27-34-16-9-6-10-17-34)50(70)62-44(29-36-30-59-40-19-12-11-18-38(36)40)52(72)60-41(20-13-25-57)49(69)61-42(51(71)64-45)28-35-21-23-37(67)24-22-35/h5-12,14-19,21-24,30,32,39,41-47,59,67H,13,20,25-29,31,57-58H2,1-4H3,(H,60,72)(H,61,69)(H,62,70)(H,63,74)(H,64,71)(H,65,73)(H,66,68)(H,75,76)/t39-,41-,42-,43-,44+,45-,46-,47-/m0/s1
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19.5n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413768
PNG
(CHEMBL505358)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2cccc3ccccc23)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/C61H74N10O10S2/c1-35(2)51(60(80)81)70-58(78)50-34-82-83-61(3,4)52(71-53(73)44(63)31-39-19-14-18-38-17-8-9-20-42(38)39)59(79)68-48(29-36-15-6-5-7-16-36)55(75)67-49(32-40-33-64-45-22-11-10-21-43(40)45)57(77)65-46(23-12-13-28-62)54(74)66-47(56(76)69-50)30-37-24-26-41(72)27-25-37/h5-11,14-22,24-27,33,35,44,46-52,64,72H,12-13,23,28-32,34,62-63H2,1-4H3,(H,65,77)(H,66,74)(H,67,75)(H,68,79)(H,69,76)(H,70,78)(H,71,73)(H,80,81)/t44-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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26.3n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50422014
PNG
(CHEMBL319299)
Show SMILES CC(C)C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22?,23-,24-/m0/s1
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50n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against Thermolysin


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413776
PNG
(CHEMBL505288)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCN)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/C53H73N11O10S2/c1-30(2)43(52(73)74)63-50(71)42-29-75-76-53(3,4)44(64-45(66)36(56)16-10-11-23-54)51(72)61-40(25-31-13-6-5-7-14-31)47(68)60-41(27-33-28-57-37-17-9-8-15-35(33)37)49(70)58-38(18-12-24-55)46(67)59-39(48(69)62-42)26-32-19-21-34(65)22-20-32/h5-9,13-15,17,19-22,28,30,36,38-44,57,65H,10-12,16,18,23-27,29,54-56H2,1-4H3,(H,58,70)(H,59,67)(H,60,68)(H,61,72)(H,62,69)(H,63,71)(H,64,66)(H,73,74)/t36-,38-,39-,40-,41+,42-,43-,44-/m0/s1
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219n/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 UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166018
PNG
(2-[(R)-1-Amino-2-((S)-4-hydroxy-phenyl)-ethyl]-thi...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C1N[C@@H](CS1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C26H33N5O4S/c27-19(13-17-8-10-18(32)11-9-17)25-30-21(15-36-25)24(34)29-20(14-16-5-2-1-3-6-16)26(35)31-12-4-7-22(31)23(28)33/h1-3,5-6,8-11,19-22,25,30,32H,4,7,12-15,27H2,(H2,28,33)(H,29,34)/t19-,20-,21-,22-,25?/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat whole brain Opioid receptor mu


J Med Chem 48: 3153-63 (2005)


Article DOI: 10.1021/jm040867y
BindingDB Entry DOI: 10.7270/Q2SN08HB
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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1.80E+9n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding against Thermolysin


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038623
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 3.60n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50406747
PNG
(CHEMBL2110347)
Show SMILES CC(C)C[C@H](S)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14+,15-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038623
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 14n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50034866
PNG
(2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-phenyl-pen...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046267
PNG
((RRS) 2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamin...)
Show SMILES CC(C)C[C@@H](S)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14-,15+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
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