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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50031850   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
Urotensin-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
Urotensin-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
Urotensin-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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-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
Urotensin-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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-2 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
Urotensin-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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-2 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 |r|
Show InChI InChI=1S/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-/m0/s1
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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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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-2 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 |r|
Show InChI InChI=1S/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-/m1/s1
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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-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
Urotensin-2 receptor


(RAT)
BDBM50320470
PNG
((4R,7S,10S,13S,16S,19R)-19-acetamido-10-(4-aminobu...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H54N8O8S2/c1-27(54)48-39-26-63-62-25-38(40(47)56)53-44(60)36(23-29-15-18-33(55)19-16-29)50-41(57)34(13-7-8-20-46)49-42(58)37(24-30-14-17-31-11-5-6-12-32(31)21-30)51-43(59)35(52-45(39)61)22-28-9-3-2-4-10-28/h2-6,9-12,14-19,21,34-39,55H,7-8,13,20,22-26,46H2,1H3,(H2,47,56)(H,48,54)(H,49,58)(H,50,57)(H,51,59)(H,52,61)(H,53,60)/t34-,35-,36-,37-,38-,39-/m0/s1
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200n/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-2 receptor


(Homo sapiens (Human))
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 |r|
Show InChI InChI=1S/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-/m0/s1
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200n/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-2 receptor


(Homo sapiens (Human))
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 |r|
Show InChI InChI=1S/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-/m0/s1
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250n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human urotensin 2 expressed in CHO cells 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-2 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 |r|
Show InChI InChI=1S/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-/m1/s1
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390n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human urotensin 2 expressed in CHO cells 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-2 receptor


(RAT)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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600n/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 at 1000 nM 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-2 receptor


(RAT)
BDBM50320467
PNG
(Ac-[CFwKYC]-NH2 | CHEMBL1163477)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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610n/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-2 receptor


(Felis catus)
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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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to cat 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-2 receptor


(RAT)
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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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist 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-2


(Mus musculus)
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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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to mouse 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-2 receptor


(RAT)
BDBM50320468
PNG
(Ac-[CFWKyC]-NH2 | CHEMBL1163479)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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1.10E+3n/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-2 receptor


(RAT)
BDBM50320473
PNG
(Ac-[CFWKAC]-NH2 | CHEMBL1165765)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C37H49N9O7S2/c1-21-33(49)46-30(32(39)48)19-54-55-20-31(42-22(2)47)37(53)44-28(16-23-10-4-3-5-11-23)35(51)45-29(17-24-18-40-26-13-7-6-12-25(24)26)36(52)43-27(34(50)41-21)14-8-9-15-38/h3-7,10-13,18,21,27-31,40H,8-9,14-17,19-20,38H2,1-2H3,(H2,39,48)(H,41,50)(H,42,47)(H,43,52)(H,44,53)(H,45,51)(H,46,49)/t21-,27-,28-,29-,30-,31-/m0/s1
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>1.00E+4n/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-2 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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n/an/a 3.60n/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-2 receptor


(RAT)
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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n/an/a 17n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization at 10000 nM 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-2 receptor


(Homo sapiens (Human))
BDBM50320475
PNG
(1-(2-(1-(2,5-difluorophenethyl)-6,7-dimethoxy-3,4-...)
Show SMILES COc1cc2CCN(CCNC(=O)Nc3cc(C)nc4ccccc34)C(CCc3cc(F)ccc3F)c2cc1OC
Show InChI InChI=1S/C32H34F2N4O3/c1-20-16-28(24-6-4-5-7-27(24)36-20)37-32(39)35-13-15-38-14-12-21-18-30(40-2)31(41-3)19-25(21)29(38)11-8-22-17-23(33)9-10-26(22)34/h4-7,9-10,16-19,29H,8,11-15H2,1-3H3,(H2,35,36,37,39)
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n/an/a 67n/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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 2.10n/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-2 receptor


(RAT)
BDBM50320468
PNG
(Ac-[CFWKyC]-NH2 | CHEMBL1163479)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 37n/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-2 receptor


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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n/an/an/an/a 250n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human urotensin 2 expressed in CHO cells 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-2 receptor


(RAT)
BDBM50320467
PNG
(Ac-[CFwKYC]-NH2 | CHEMBL1163477)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 26n/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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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-2 receptor


(RAT)
BDBM50320465
PNG
(CFWKYC | CHEMBL1165793)
Show SMILES NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C41H50N8O8S2/c42-17-7-6-12-31-37(52)47-33(19-25-13-15-27(50)16-14-25)39(54)49-35(41(56)57)23-59-58-22-29(43)36(51)46-32(18-24-8-2-1-3-9-24)38(53)48-34(40(55)45-31)20-26-21-44-30-11-5-4-10-28(26)30/h1-5,8-11,13-16,21,29,31-35,44,50H,6-7,12,17-20,22-23,42-43H2,(H,45,55)(H,46,51)(H,47,52)(H,48,53)(H,49,54)(H,56,57)/t29-,31-,32-,33-,34-,35-/m0/s1
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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-2 receptor


(RAT)
BDBM50320464
PNG
(CHEMBL1163473 | [CFWKYC]V)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](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/C46H59N9O9S2/c1-26(2)39(46(63)64)55-45(62)38-25-66-65-24-32(48)40(57)51-35(20-27-10-4-3-5-11-27)42(59)53-37(22-29-23-49-33-13-7-6-12-31(29)33)44(61)50-34(14-8-9-19-47)41(58)52-36(43(60)54-38)21-28-15-17-30(56)18-16-28/h3-7,10-13,15-18,23,26,32,34-39,49,56H,8-9,14,19-22,24-25,47-48H2,1-2H3,(H,50,61)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,62)(H,63,64)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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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-2 receptor


(RAT)
BDBM50320463
PNG
(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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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-2 receptor


(RAT)
BDBM50320462
PNG
(AD[CFWKYC]A | CHEMBL1165767)
Show SMILES C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=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(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C51H66N12O12S2/c1-27(53)43(66)58-39(23-42(54)65)48(71)63-41-26-77-76-25-40(49(72)56-28(2)51(74)75)62-46(69)37(21-30-15-17-32(64)18-16-30)59-44(67)35(14-8-9-19-52)57-47(70)38(22-31-24-55-34-13-7-6-12-33(31)34)61-45(68)36(60-50(41)73)20-29-10-4-3-5-11-29/h3-7,10-13,15-18,24,27-28,35-41,55,64H,8-9,14,19-23,25-26,52-53H2,1-2H3,(H2,54,65)(H,56,72)(H,57,70)(H,58,66)(H,59,67)(H,60,73)(H,61,68)(H,62,69)(H,63,71)(H,74,75)/t27-,28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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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-2 receptor


(RAT)
BDBM50320461
PNG
(AD[CFWAYC]V | CHEMBL1165766)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)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](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H63N11O12S2/c1-25(2)41(50(72)73)61-49(71)39-24-75-74-23-38(59-47(69)37(21-40(52)63)55-42(64)26(3)51)48(70)57-35(18-28-10-6-5-7-11-28)45(67)58-36(20-30-22-53-33-13-9-8-12-32(30)33)44(66)54-27(4)43(65)56-34(46(68)60-39)19-29-14-16-31(62)17-15-29/h5-17,22,25-27,34-39,41,53,62H,18-21,23-24,51H2,1-4H3,(H2,52,63)(H,54,66)(H,55,64)(H,56,65)(H,57,70)(H,58,67)(H,59,69)(H,60,68)(H,61,71)(H,72,73)/t26-,27-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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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-2 receptor


(RAT)
BDBM50320460
PNG
(AD[CFAKYC]V | CHEMBL1163470)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)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/C45H65N11O12S2/c1-23(2)36(45(67)68)56-44(66)34-22-70-69-21-33(54-42(64)32(20-35(48)58)51-37(59)24(3)47)43(65)53-30(18-26-10-6-5-7-11-26)40(62)49-25(4)38(60)50-29(12-8-9-17-46)39(61)52-31(41(63)55-34)19-27-13-15-28(57)16-14-27/h5-7,10-11,13-16,23-25,29-34,36,57H,8-9,12,17-22,46-47H2,1-4H3,(H2,48,58)(H,49,62)(H,50,60)(H,51,59)(H,52,61)(H,53,65)(H,54,64)(H,55,63)(H,56,66)(H,67,68)/t24-,25-,29-,30-,31-,32-,33-,34-,36-/m0/s1
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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-2 receptor


(RAT)
BDBM50320459
PNG
(AD[CAWKYC]V | CHEMBL1165764)
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)N)C(=O)N[C@@H](C)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/C47H65N11O13S2/c1-23(2)38(47(70)71)58-46(69)36-22-73-72-21-35(56-44(67)34(19-37(60)61)53-39(62)24(3)49)45(68)51-25(4)40(63)54-33(18-27-20-50-30-10-6-5-9-29(27)30)43(66)52-31(11-7-8-16-48)41(64)55-32(42(65)57-36)17-26-12-14-28(59)15-13-26/h5-6,9-10,12-15,20,23-25,31-36,38,50,59H,7-8,11,16-19,21-22,48-49H2,1-4H3,(H,51,68)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H,56,67)(H,57,65)(H,58,69)(H,60,61)(H,70,71)/t24-,25-,31-,32-,33-,34-,35-,36-,38-/m0/s1
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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-2 receptor


(RAT)
BDBM50320458
PNG
(AA[CFWKYC]V | CHEMBL1165735)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)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/C52H69N11O11S2/c1-28(2)43(52(73)74)63-51(72)42-27-76-75-26-41(61-45(66)30(4)56-44(65)29(3)54)50(71)59-38(22-31-12-6-5-7-13-31)47(68)60-40(24-33-25-55-36-15-9-8-14-35(33)36)49(70)57-37(16-10-11-21-53)46(67)58-39(48(69)62-42)23-32-17-19-34(64)20-18-32/h5-9,12-15,17-20,25,28-30,37-43,55,64H,10-11,16,21-24,26-27,53-54H2,1-4H3,(H,56,65)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,66)(H,62,69)(H,63,72)(H,73,74)/t29-,30-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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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-2 receptor


(RAT)
BDBM50320457
PNG
(AD[CFWKYC]V | CHEMBL1163460)
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)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/C53H69N11O13S2/c1-28(2)44(53(76)77)64-52(75)42-27-79-78-26-41(62-50(73)40(24-43(66)67)58-45(68)29(3)55)51(74)60-37(21-30-11-5-4-6-12-30)47(70)61-39(23-32-25-56-35-14-8-7-13-34(32)35)49(72)57-36(15-9-10-20-54)46(69)59-38(48(71)63-42)22-31-16-18-33(65)19-17-31/h4-8,11-14,16-19,25,28-29,36-42,44,56,65H,9-10,15,20-24,26-27,54-55H2,1-3H3,(H,57,72)(H,58,68)(H,59,69)(H,60,74)(H,61,70)(H,62,73)(H,63,71)(H,64,75)(H,66,67)(H,76,77)/t29-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1
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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-2 receptor


(RAT)
BDBM50320456
PNG
(CHEMBL1165734 | TAD[CFWKYC]V)
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](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 |r|
Show InChI InChI=1S/C57H76N12O15S2/c1-29(2)47(57(83)84)69-55(81)44-28-86-85-27-43(67-53(79)42(25-45(72)73)63-48(74)30(3)61-56(82)46(59)31(4)70)54(80)65-39(22-32-12-6-5-7-13-32)50(76)66-41(24-34-26-60-37-15-9-8-14-36(34)37)52(78)62-38(16-10-11-21-58)49(75)64-40(51(77)68-44)23-33-17-19-35(71)20-18-33/h5-9,12-15,17-20,26,29-31,38-44,46-47,60,70-71H,10-11,16,21-25,27-28,58-59H2,1-4H3,(H,61,82)(H,62,78)(H,63,74)(H,64,75)(H,65,80)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,72,73)(H,83,84)/t30-,31+,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1
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n/an/an/an/a 0.110n/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-2 receptor


(RAT)
BDBM50320455
PNG
(CHEMBL1163467 | GTAD[CFWKYC]V)
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)CN)[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/C59H79N13O16S2/c1-30(2)48(59(87)88)72-57(85)45-29-90-89-28-44(69-55(83)43(25-47(76)77)65-50(78)31(3)63-58(86)49(32(4)73)71-46(75)26-61)56(84)67-40(22-33-12-6-5-7-13-33)52(80)68-42(24-35-27-62-38-15-9-8-14-37(35)38)54(82)64-39(16-10-11-21-60)51(79)66-41(53(81)70-45)23-34-17-19-36(74)20-18-34/h5-9,12-15,17-20,27,30-32,39-45,48-49,62,73-74H,10-11,16,21-26,28-29,60-61H2,1-4H3,(H,63,86)(H,64,82)(H,65,78)(H,66,79)(H,67,84)(H,68,80)(H,69,83)(H,70,81)(H,71,75)(H,72,85)(H,76,77)(H,87,88)/t31-,32+,39-,40-,41-,42-,43-,44-,45-,48-,49-/m0/s1
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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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 0.170n/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-2 receptor


(RAT)
BDBM50320470
PNG
((4R,7S,10S,13S,16S,19R)-19-acetamido-10-(4-aminobu...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H54N8O8S2/c1-27(54)48-39-26-63-62-25-38(40(47)56)53-44(60)36(23-29-15-18-33(55)19-16-29)50-41(57)34(13-7-8-20-46)49-42(58)37(24-30-14-17-31-11-5-6-12-32(31)21-30)51-43(59)35(52-45(39)61)22-28-9-3-2-4-10-28/h2-6,9-12,14-19,21,34-39,55H,7-8,13,20,22-26,46H2,1H3,(H2,47,56)(H,48,54)(H,49,58)(H,50,57)(H,51,59)(H,52,61)(H,53,60)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 31n/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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 0.340n/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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 1.5n/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-2 receptor


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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