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Compile Data Set for Download or QSAR

Found 411 hits with Last Name = 'kinney' and Initial = 'wa'   
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
UTS2R


(RAT)
BDBM50320472
PNG
((3S,6S,9S,15S)-3-((4R,7S,10S,13S,16S,19R)-13-((1H-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[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](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O
Show InChI InChI=1/C66H86N14O16S2/c1-34(2)54(66(95)96)80-64(93)51-33-98-97-32-50(77-62(91)49(29-53(83)84)73-57(86)36(4)71-65(94)55(37(5)81)79-52(82)31-70-56(85)35(3)68)63(92)75-46(26-38-15-7-6-8-16-38)59(88)76-48(28-42-30-69-44-20-12-11-19-43(42)44)61(90)72-45(21-13-14-24-67)58(87)74-47(60(89)78-51)27-39-22-23-40-17-9-10-18-41(40)25-39/h6-12,15-20,22-23,25,30,34-37,45-51,54-55,69,81H,13-14,21,24,26-29,31-33,67-68H2,1-5H3,(H,70,85)(H,71,94)(H,72,90)(H,73,86)(H,74,87)(H,75,92)(H,76,88)(H,77,91)(H,78,89)(H,79,82)(H,80,93)(H,83,84)(H,95,96)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,54-,55-/s2
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0.0200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302273
PNG
((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)...)
Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-45(61)38(23-30-18-19-31-13-5-6-14-32(31)21-30)53-43(59)36(17-9-10-20-48)52-46(62)39(24-33-25-50-35-16-8-7-15-34(33)35)55-44(60)37(54-47(41)63)22-29-11-3-2-4-12-29/h2-8,11-16,18-19,21,25,36-41,50H,9-10,17,20,22-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,62)(H,53,59)(H,54,63)(H,55,60)(H,56,61)/t36-,37-,38-,39-,40-,41-/s2
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0.120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from rat urotensin 2 receptor expressed in CHOK1 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


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


(RAT)
BDBM50302273
PNG
((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)...)
Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-45(61)38(23-30-18-19-31-13-5-6-14-32(31)21-30)53-43(59)36(17-9-10-20-48)52-46(62)39(24-33-25-50-35-16-8-7-15-34(33)35)55-44(60)37(54-47(41)63)22-29-11-3-2-4-12-29/h2-8,11-16,18-19,21,25,36-41,50H,9-10,17,20,22-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,62)(H,53,59)(H,54,63)(H,55,60)(H,56,61)/t36-,37-,38-,39-,40-,41-/s2
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0.120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50320454
PNG
(AGTAD[CFWKYC]V | CHEMBL1163463)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[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=1/C62H84N14O17S2/c1-31(2)50(62(92)93)76-60(90)47-30-95-94-29-46(73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64)59(89)71-42(23-35-13-7-6-8-14-35)55(85)72-44(25-37-27-65-40-16-10-9-15-39(37)40)57(87)68-41(17-11-12-22-63)54(84)70-43(56(86)74-47)24-36-18-20-38(78)21-19-36/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/s2
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0.190n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50240963
PNG
((S)-3,4-dichloro-N-(1-(4-(3-(dimethylamino)propoxy...)
Show SMILES CN(C)CCCOc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1/C23H29Cl2N3O2/c1-27(2)11-3-13-30-20-7-4-17(5-8-20)15-28-12-10-19(16-28)26-23(29)18-6-9-21(24)22(25)14-18/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,26,29)/t19-/s2
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3.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302258
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C(C)C)C1=O
Show InChI InChI=1/C31H40N4O5S2/c1-22(2)33-15-17-34(18-16-33)27-9-5-8-24-25(27)21-35(31(24)36)26(23-12-13-28(39-3)29(20-23)40-4)10-6-14-32-42(37,38)30-11-7-19-41-30/h5,7-9,11-13,19-20,22,26,32H,6,10,14-18,21H2,1-4H3/t26-/s2
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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302257
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNS(=O)(=O)c1cccs1)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C30H38N4O5S2/c1-4-32-15-17-33(18-16-32)26-9-5-8-23-24(26)21-34(30(23)35)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-31-41(36,37)29-11-7-19-40-29/h5,7-9,11-13,19-20,25,31H,4,6,10,14-18,21H2,1-3H3/t25-/s2
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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin-2


(Macaca mulatta)
BDBM50302272
PNG
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)
Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to monkey urotensin 2 receptor


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50320471
PNG
((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)...)
Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-46(62)38(23-31-16-11-15-30-14-5-6-17-33(30)31)54-43(59)36(20-9-10-21-48)52-45(61)39(24-32-25-50-35-19-8-7-18-34(32)35)55-44(60)37(53-47(41)63)22-29-12-3-2-4-13-29/h2-8,11-19,25,36-41,50H,9-10,20-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,61)(H,53,63)(H,54,59)(H,55,60)(H,56,62)/t36-,37-,38-,39-,40-,41-/s2
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302272
PNG
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)
Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin 2 receptor


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302274
PNG
((4R,10bR)-4-(3,4-dimethoxyphenyl)-10-(4-ethylpiper...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCC[C@@H]3c3ccc(OC)c(OC)c3)c12
Show InChI InChI=1/C26H33N3O3/c1-4-27-13-15-28(16-14-27)21-9-5-7-19-25(21)22-10-6-8-20(29(22)26(19)30)18-11-12-23(31-2)24(17-18)32-3/h5,7,9,11-12,17,20,22H,4,6,8,10,13-16H2,1-3H3/t20-,22-/s2
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6.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50249878
PNG
((R)-2-bromo-4,5-dimethoxy-N-(3-(1-methylpyrrolidin...)
Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(O[C@@H]2CCN(C)C2)c1)C(F)(F)F
Show InChI InChI=1/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/s2
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8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302271
PNG
((R)-2-(1-(3,4-dimethoxyphenyl)-4-(6-methoxypyrazin...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNc1cncc(OC)n1)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H40N6O4/c1-5-35-14-16-36(17-15-35)26-9-6-8-23-24(26)21-37(31(23)38)25(22-11-12-27(39-2)28(18-22)40-3)10-7-13-33-29-19-32-20-30(34-29)41-4/h6,8-9,11-12,18-20,25H,5,7,10,13-17,21H2,1-4H3,(H,33,34)/t25-/s2
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8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50174316
PNG
(CHEMBL3809355)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(C2CCCCC2)c(O)c1
Show InChI InChI=1S/C21H34O2/c1-4-5-6-10-13-21(2,3)17-14-18(22)20(19(23)15-17)16-11-8-7-9-12-16/h14-16,22-23H,4-13H2,1-3H3
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11n/an/an/an/an/an/an/an/a



KannaLife Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor after 1 hr by liquid scintillation spectrometry


ACS Med Chem Lett 7: 424-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00009
BindingDB Entry DOI: 10.7270/Q2BZ680Z
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302267
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNC(=O)c1c(C)n[nH]c1C)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C32H42N6O4/c1-6-36-15-17-37(18-16-36)27-10-7-9-24-25(27)20-38(32(24)40)26(23-12-13-28(41-4)29(19-23)42-5)11-8-14-33-31(39)30-21(2)34-35-22(30)3/h7,9-10,12-13,19,26H,6,8,11,14-18,20H2,1-5H3,(H,33,39)(H,34,35)/t26-/s2
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302264
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C(C)C)C1=O
Show InChI InChI=1/C32H42N4O5S2/c1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31/h6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3/t27-/s2
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50320478
PNG
(CHEMBL1164523 | N-((S)-1-((S)-1-(4-(3-(dimethylami...)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
Show InChI InChI=1/C30H40N4O3S/c1-21(2)28(32-29(35)27-18-23-8-5-6-9-26(23)38-27)30(36)31-24-14-16-34(20-24)19-22-10-12-25(13-11-22)37-17-7-15-33(3)4/h5-6,8-13,18,21,24,28H,7,14-17,19-20H2,1-4H3,(H,31,36)(H,32,35)/t24-,28-/s2
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12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin 2 receptor


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(RAT)
BDBM50320466
PNG
(Ac-[CFWKYC]-NH2 | CHEMBL1165794)
Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C43H53N9O8S2/c1-25(53)47-37-24-62-61-23-36(38(45)55)52-41(58)34(20-27-14-16-29(54)17-15-27)49-39(56)32(13-7-8-18-44)48-42(59)35(21-28-22-46-31-12-6-5-11-30(28)31)51-40(57)33(50-43(37)60)19-26-9-3-2-4-10-26/h2-6,9-12,14-17,22,32-37,46,54H,7-8,13,18-21,23-24,44H2,1H3,(H2,45,55)(H,47,53)(H,48,59)(H,49,56)(H,50,60)(H,51,57)(H,52,58)/t32-,33-,34-,35-,36-,37-/s2
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302268
PNG
(CHEMBL578206 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNC(=O)c1cnoc1C)N1Cc2c(cccc2N2CCN(CC2)[C@H](C)c2ccccc2)C1=O
Show InChI InChI=1/C37H43N5O5/c1-25(27-10-6-5-7-11-27)40-18-20-41(21-19-40)33-13-8-12-29-31(33)24-42(37(29)44)32(28-15-16-34(45-3)35(22-28)46-4)14-9-17-38-36(43)30-23-39-47-26(30)2/h5-8,10-13,15-16,22-23,25,32H,9,14,17-21,24H2,1-4H3,(H,38,43)/t25-,32-/s2
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302255
PNG
(CHEMBL565395 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cn(C)c(C)n1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H44N6O6S/c1-25(27-11-7-6-8-12-27)41-19-21-42(22-20-41)31-14-9-13-29-35(31)37(45)43(36(29)44)30(28-16-17-32(48-4)33(23-28)49-5)15-10-18-38-50(46,47)34-24-40(3)26(2)39-34/h6-9,11-14,16-17,23-25,30,38H,10,15,18-22H2,1-5H3/t25-,30-/s2
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16n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(RAT)
BDBM50320469
PNG
(Ac-[CFWKFC]-NH2 | CHEMBL1163471)
Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C43H53N9O7S2/c1-26(53)47-37-25-61-60-24-36(38(45)54)52-41(57)34(21-28-14-6-3-7-15-28)49-39(55)32(18-10-11-19-44)48-42(58)35(22-29-23-46-31-17-9-8-16-30(29)31)51-40(56)33(50-43(37)59)20-27-12-4-2-5-13-27/h2-9,12-17,23,32-37,46H,10-11,18-22,24-25,44H2,1H3,(H2,45,54)(H,47,53)(H,48,58)(H,49,55)(H,50,59)(H,51,56)(H,52,57)/t32-,33-,34-,35-,36-,37-/s2
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17n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302259
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNC(=O)c1cccs1)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H38N4O4S/c1-4-33-15-17-34(18-16-33)26-9-5-8-23-24(26)21-35(31(23)37)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-32-30(36)29-11-7-19-40-29/h5,7-9,11-13,19-20,25H,4,6,10,14-18,21H2,1-3H3,(H,32,36)/t25-/s2
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18n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302260
PNG
((R)-2-(1-(3,4-dimethoxyphenyl)-4-(thiophen-2-ylmet...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNCc1cccs1)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H40N4O3S/c1-4-33-15-17-34(18-16-33)28-10-5-9-25-26(28)22-35(31(25)36)27(11-6-14-32-21-24-8-7-19-39-24)23-12-13-29(37-2)30(20-23)38-3/h5,7-10,12-13,19-20,27,32H,4,6,11,14-18,21-22H2,1-3H3/t27-/s2
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18n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302269
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNS(=O)(=O)c1cnc[nH]1)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C29H38N6O5S/c1-4-33-13-15-34(16-14-33)25-8-5-7-22-23(25)19-35(29(22)36)24(21-10-11-26(39-2)27(17-21)40-3)9-6-12-32-41(37,38)28-18-30-20-31-28/h5,7-8,10-11,17-18,20,24,32H,4,6,9,12-16,19H2,1-3H3,(H,30,31)/t24-/s2
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25n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50224717
PNG
(5-chloro-N-((1-(3,3-dimethylbutanoyl)piperidin-4-y...)
Show SMILES CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc34)CC2)CC1
Show InChI InChI=1S/C34H45ClN4O4/c1-34(2,3)21-31(40)38-16-10-24(11-17-38)22-36-33(42)28-20-26(35)8-9-27(28)25-12-14-37(15-13-25)18-19-39-29-6-4-5-7-30(29)43-23-32(39)41/h4-9,20,24-25H,10-19,21-23H2,1-3H3,(H,36,42)
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27n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs


Bioorg Med Chem Lett 17: 6489-92 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.092
BindingDB Entry DOI: 10.7270/Q2C53KKJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50224727
PNG
(CHEMBL239199 | N-benzyl-4-((5-chloro-2-(1-(2-(3-ox...)
Show SMILES Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCC1CCN(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H42ClN5O4/c37-29-10-11-30(28-14-16-40(17-15-28)20-21-42-32-8-4-5-9-33(32)46-25-34(42)43)31(22-29)35(44)38-23-27-12-18-41(19-13-27)36(45)39-24-26-6-2-1-3-7-26/h1-11,22,27-28H,12-21,23-25H2,(H,38,44)(H,39,45)
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs


Bioorg Med Chem Lett 17: 6489-92 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.092
BindingDB Entry DOI: 10.7270/Q2C53KKJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50224718
PNG
(CHEMBL239250 | N-((1-(benzylsulfonyl)piperidin-4-y...)
Show SMILES Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCC1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C35H41ClN4O5S/c36-29-10-11-30(28-14-16-38(17-15-28)20-21-40-32-8-4-5-9-33(32)45-24-34(40)41)31(22-29)35(42)37-23-26-12-18-39(19-13-26)46(43,44)25-27-6-2-1-3-7-27/h1-11,22,26,28H,12-21,23-25H2,(H,37,42)
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs


Bioorg Med Chem Lett 17: 6489-92 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.092
BindingDB Entry DOI: 10.7270/Q2C53KKJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302251
PNG
(CHEMBL565806 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cnoc1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C36H41N5O7S/c1-24(26-10-6-5-7-11-26)39-18-20-40(21-19-39)30-13-8-12-28-34(30)36(43)41(35(28)42)29(27-15-16-31(46-3)32(22-27)47-4)14-9-17-38-49(44,45)33-23-37-48-25(33)2/h5-8,10-13,15-16,22-24,29,38H,9,14,17-21H2,1-4H3/t24-,29-/s2
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32n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092588
PNG
(4-(1,1-Dimethyl-heptyl)-2'-isopropyl-5'-methyl-bip...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C
Show InChI InChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3
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33n/an/an/an/an/an/an/an/a



KannaLife Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor after 1 hr by liquid scintillation spectrometry


ACS Med Chem Lett 7: 424-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00009
BindingDB Entry DOI: 10.7270/Q2BZ680Z
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50320474
PNG
((7R)-7-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCCC[C@@H]3c3ccc(OC)c(OC)c3)c12
Show InChI InChI=1/C27H35N3O3/c1-4-28-14-16-29(17-15-28)22-11-7-8-20-26(22)23-10-6-5-9-21(30(23)27(20)31)19-12-13-24(32-2)25(18-19)33-3/h7-8,11-13,18,21,23H,4-6,9-10,14-17H2,1-3H3/t21-,23-/s2
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34n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302272
PNG
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)
Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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41n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302266
PNG
((R)-N-(4-(4-(4-cyclobutylpiperazin-1-yl)-1-oxoisoi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CCC2)C1=O
Show InChI InChI=1/C33H42N4O5S2/c1-34(44(39,40)32-13-7-21-43-32)16-6-12-28(24-14-15-30(41-2)31(22-24)42-3)37-23-27-26(33(37)38)10-5-11-29(27)36-19-17-35(18-20-36)25-8-4-9-25/h5,7,10-11,13-15,21-22,25,28H,4,6,8-9,12,16-20,23H2,1-3H3/t28-/s2
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44n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302262
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(1-oxo-4-(piperaz...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCNCC2)C1=O
Show InChI InChI=1/C29H36N4O5S2/c1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32/h4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3/t24-/s2
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49n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50224719
PNG
(CHEMBL391354 | benzyl 4-((5-chloro-2-(1-(2-(3-oxo-...)
Show SMILES Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C36H41ClN4O5/c37-29-10-11-30(28-14-16-39(17-15-28)20-21-41-32-8-4-5-9-33(32)45-25-34(41)42)31(22-29)35(43)38-23-26-12-18-40(19-13-26)36(44)46-24-27-6-2-1-3-7-27/h1-11,22,26,28H,12-21,23-25H2,(H,38,43)
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54n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs


Bioorg Med Chem Lett 17: 6489-92 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.092
BindingDB Entry DOI: 10.7270/Q2C53KKJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302265
PNG
((R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoiso...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CC2)C1=O
Show InChI InChI=1/C32H40N4O5S2/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3/t27-/s2
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59n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302270
PNG
((R)-2-(4-(6-chloropyrazin-2-ylamino)-1-(3,4-dimeth...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNc1cncc(Cl)n1)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C30H37ClN6O3/c1-4-35-13-15-36(16-14-35)25-8-5-7-22-23(25)20-37(30(22)38)24(21-10-11-26(39-2)27(17-21)40-3)9-6-12-33-29-19-32-18-28(31)34-29/h5,7-8,10-11,17-19,24H,4,6,9,12-16,20H2,1-3H3,(H,33,34)/t24-/s2
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62n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302274
PNG
((4R,10bR)-4-(3,4-dimethoxyphenyl)-10-(4-ethylpiper...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCC[C@@H]3c3ccc(OC)c(OC)c3)c12
Show InChI InChI=1/C26H33N3O3/c1-4-27-13-15-28(16-14-27)21-9-5-7-19-25(21)22-10-6-8-20(29(22)26(19)30)18-11-12-23(31-2)24(17-18)32-3/h5,7,9,11-12,17,20,22H,4,6,8,10,13-16H2,1-3H3/t20-,22-/s2
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64n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302274
PNG
((4R,10bR)-4-(3,4-dimethoxyphenyl)-10-(4-ethylpiper...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCC[C@@H]3c3ccc(OC)c(OC)c3)c12
Show InChI InChI=1/C26H33N3O3/c1-4-27-13-15-28(16-14-27)21-9-5-7-19-25(21)22-10-6-8-20(29(22)26(19)30)18-11-12-23(31-2)24(17-18)32-3/h5,7,9,11-12,17,20,22H,4,6,8,10,13-16H2,1-3H3/t20-,22-/s2
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64n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin 2 receptor


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50224715
PNG
(CHEMBL396443 | tert-butyl 4-(2-(5-chloro-2-(1-(2-(...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc34)CC2)CC1
Show InChI InChI=1S/C33H44ClN5O5/c1-33(2,3)44-32(42)38-19-16-37(17-20-38)15-12-35-31(41)27-22-25(34)8-9-26(27)24-10-13-36(14-11-24)18-21-39-28-6-4-5-7-29(28)43-23-30(39)40/h4-9,22,24H,10-21,23H2,1-3H3,(H,35,41)
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65n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs


Bioorg Med Chem Lett 17: 6489-92 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.092
BindingDB Entry DOI: 10.7270/Q2C53KKJ
More data for this
Ligand-Target Pair
Urotensin II receptor


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50224721
PNG
(CHEMBL240916 | tert-butyl 4-(2-(5-chloro-2-(1-(2-(...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc34)CC2)CC1
Show InChI InChI=1S/C34H45ClN4O5/c1-34(2,3)44-33(42)38-18-11-24(12-19-38)10-15-36-32(41)28-22-26(35)8-9-27(28)25-13-16-37(17-14-25)20-21-39-29-6-4-5-7-30(29)43-23-31(39)40/h4-9,22,24-25H,10-21,23H2,1-3H3,(H,36,41)
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77n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs


Bioorg Med Chem Lett 17: 6489-92 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.092
BindingDB Entry DOI: 10.7270/Q2C53KKJ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302254
PNG
(CHEMBL565388 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNC(=O)c1c(C)n[nH]c1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C38H44N6O5/c1-24-34(25(2)41-40-24)36(45)39-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)44-37(46)29-13-9-14-31(35(29)38(44)47)43-21-19-42(20-22-43)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30H,10,15,18-22H2,1-5H3,(H,39,45)(H,40,41)/t26-,30-/s2
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87n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


(Homo sapiens (Human))
BDBM50302256
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cn(C)c(C)n3)c3ccc(OC)c(OC)c3)C(=O)c12
Show InChI InChI=1/C31H40N6O6S/c1-6-35-15-17-36(18-16-35)25-10-7-9-23-29(25)31(39)37(30(23)38)24(22-12-13-26(42-4)27(19-22)43-5)11-8-14-32-44(40,41)28-20-34(3)21(2)33-28/h7,9-10,12-13,19-20,24,32H,6,8,11,14-18H2,1-5H3/t24-/s2
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97n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


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


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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin-2


(Rattus norvegicus)
BDBM50320477
PNG
(2,6-dichloro-N-(4-chloro-3-(2-(dimethylamino)ethox...)
Show SMILES CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(cc2Cl)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C17H16Cl3F3N2O3S/c1-25(2)5-6-28-15-9-11(3-4-12(15)18)24-29(26,27)16-13(19)7-10(8-14(16)20)17(21,22)23/h3-4,7-9,24H,5-6H2,1-2H3
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121n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to rat urotensin 2 receptor


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
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