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9 similar compounds to monomer 50302228

Compile data set for download or QSAR
Wt: 542.6
BDBM50302239
Wt: 507.5
BDBM50302226
Wt: 471.5
BDBM50302227
Wt: 485.5
BDBM50302229
Wt: 499.6
BDBM50302230
Wt: 499.6
BDBM50302231
Wt: 499.6
BDBM50302232
Wt: 513.6
BDBM50302233
Wt: 514.6
BDBM50302234

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50302239,50302226,50302227,50302229,50302230,50302231,50302232,50302233,50302234   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302232
PNG
(2-((S)-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-p...)
Show SMILES COc1ccc(cc1OC)[C@H](C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21+/s2
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160n/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))
BDBM50302227
PNG
(4-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxybenzyl)...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC
Show InChI InChI=1S/C28H29N3O4/c1-34-24-12-11-21(17-25(24)35-2)19-31-27(32)22-9-6-10-23(26(22)28(31)33)30-15-13-29(14-16-30)18-20-7-4-3-5-8-20/h3-12,17H,13-16,18-19H2,1-2H3
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160n/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))
BDBM50302231
PNG
(2-((R)-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-p...)
Show SMILES COc1ccc(cc1OC)[C@@H](C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21-/s2
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230n/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))
BDBM50302233
PNG
(2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phen...)
Show SMILES CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/s2
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310n/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))
BDBM50302230
PNG
(2-(1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C(C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21?/s2
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310n/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))
BDBM50302226
PNG
(4-(4-(2,6-difluorobenzyl)piperazin-1-yl)-2-(3,4-di...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC
Show InChI InChI=1S/C28H27F2N3O4/c1-36-24-10-9-18(15-25(24)37-2)16-33-27(34)19-5-3-8-23(26(19)28(33)35)32-13-11-31(12-14-32)17-20-21(29)6-4-7-22(20)30/h3-10,15H,11-14,16-17H2,1-2H3
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310n/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))
BDBM50302234
PNG
(2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)...)
Show SMILES COc1ccc(cc1OC)C(CN)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H34N4O4/c1-20(21-8-5-4-6-9-21)32-14-16-33(17-15-32)24-11-7-10-23-28(24)30(36)34(29(23)35)25(19-31)22-12-13-26(37-2)27(18-22)38-3/h4-13,18,20,25H,14-17,19,31H2,1-3H3/t20-,25?/s2
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700n/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))
BDBM50302239
PNG
(2-(4-amino-1-(3,4-dimethoxyphenyl)butyl)-4-(4-((R)...)
Show SMILES COc1ccc(cc1OC)C(CCCN)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C32H38N4O4/c1-22(23-9-5-4-6-10-23)34-17-19-35(20-18-34)27-12-7-11-25-30(27)32(38)36(31(25)37)26(13-8-16-33)24-14-15-28(39-2)29(21-24)40-3/h4-7,9-12,14-15,21-22,26H,8,13,16-20,33H2,1-3H3/t22-,26?/s2
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3.20E+3n/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)
BDBM50302239
PNG
(2-(4-amino-1-(3,4-dimethoxyphenyl)butyl)-4-(4-((R)...)
Show SMILES COc1ccc(cc1OC)C(CCCN)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C32H38N4O4/c1-22(23-9-5-4-6-10-23)34-17-19-35(20-18-34)27-12-7-11-25-30(27)32(38)36(31(25)37)26(13-8-16-33)24-14-15-28(39-2)29(21-24)40-3/h4-7,9-12,14-15,21-22,26H,8,13,16-20,33H2,1-3H3/t22-,26?/s2
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n/an/a 200n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302234
PNG
(2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)...)
Show SMILES COc1ccc(cc1OC)C(CN)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H34N4O4/c1-20(21-8-5-4-6-9-21)32-14-16-33(17-15-32)24-11-7-10-23-28(24)30(36)34(29(23)35)25(19-31)22-12-13-26(37-2)27(18-22)38-3/h4-13,18,20,25H,14-17,19,31H2,1-3H3/t20-,25?/s2
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n/an/a 300n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302233
PNG
(2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phen...)
Show SMILES CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/s2
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n/an/a 180n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302232
PNG
(2-((S)-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-p...)
Show SMILES COc1ccc(cc1OC)[C@H](C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21+/s2
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n/an/a 130n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302231
PNG
(2-((R)-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-p...)
Show SMILES COc1ccc(cc1OC)[C@@H](C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21-/s2
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n/an/a 150n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302230
PNG
(2-(1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C(C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21?/s2
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n/an/a 70n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302229
PNG
((S)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)pi...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(CC4)[C@@H](C)c4ccccc4)c3C2=O)cc1OC
Show InChI InChI=1/C29H31N3O4/c1-20(22-8-5-4-6-9-22)30-14-16-31(17-15-30)24-11-7-10-23-27(24)29(34)32(28(23)33)19-21-12-13-25(35-2)26(18-21)36-3/h4-13,18,20H,14-17,19H2,1-3H3/t20-/s2
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n/an/a 460n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302226
PNG
(4-(4-(2,6-difluorobenzyl)piperazin-1-yl)-2-(3,4-di...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC
Show InChI InChI=1S/C28H27F2N3O4/c1-36-24-10-9-18(15-25(24)37-2)16-33-27(34)19-5-3-8-23(26(19)28(33)35)32-13-11-31(12-14-32)17-20-21(29)6-4-7-22(20)30/h3-10,15H,11-14,16-17H2,1-2H3
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n/an/a 1.00E+3n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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)
BDBM50302227
PNG
(4-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxybenzyl)...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC
Show InChI InChI=1S/C28H29N3O4/c1-34-24-12-11-21(17-25(24)35-2)19-31-27(32)22-9-6-10-23(26(22)28(31)33)30-15-13-29(14-16-30)18-20-7-4-3-5-8-20/h3-12,17H,13-16,18-19H2,1-2H3
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n/an/a 150n/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 CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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