BDBM50156260 CHEMBL184407::Methanesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester

SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1

InChI Key InChIKey=ATOBZBFTPJRCNY-IERDGZPVSA-N

Data  6 KI  9 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50156260   

TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataKi:  4nMAssay Description:Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataKi:  4nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataKi:  48nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-2 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataKi:  48nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataKi:  66nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataKi:  66nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  18nMAssay Description:Agonist activity at Homo sapiens (human) beta1 adrenoreceptorMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  44nMAssay Description:Agonist activity at Homo sapiens (human) beta2 adrenoreceptorMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  44nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  44nMAssay Description:Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-1 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  0.210nMAssay Description:Agonist activity at Homo sapiens (human) beta3 adrenoreceptorMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  0.210nMAssay Description:Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  18nMAssay Description:Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-2 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  0.210nMAssay Description:Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50156260(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
Affinity DataEC50:  18nMAssay Description:Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-2 adrenergic receptorMore data for this Ligand-Target Pair