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BDBM50070172 4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-benzenesulfonamide::CHEMBL13432

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1

InChI Key: InChIKey=HTYTXXYDXXDLGV-MHZLTWQESA-N

Data: 2 IC50  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50070172   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070172
PNG
(4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H38N4O6S/c35-26-12-14-28(15-13-26)40-21-27(36)20-31-19-18-22-6-8-25(9-7-22)34-41(38,39)29-16-10-24(11-17-29)33-30(37)32-23-4-2-1-3-5-23/h6-17,23,27,31,34-36H,1-5,18-21H2,(H2,32,33,37)/t27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070172
PNG
(4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H38N4O6S/c35-26-12-14-28(15-13-26)40-21-27(36)20-31-19-18-22-6-8-25(9-7-22)34-41(38,39)29-16-10-24(11-17-29)33-30(37)32-23-4-2-1-3-5-23/h6-17,23,27,31,34-36H,1-5,18-21H2,(H2,32,33,37)/t27-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070172
PNG
(4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H38N4O6S/c35-26-12-14-28(15-13-26)40-21-27(36)20-31-19-18-22-6-8-25(9-7-22)34-41(38,39)29-16-10-24(11-17-29)33-30(37)32-23-4-2-1-3-5-23/h6-17,23,27,31,34-36H,1-5,18-21H2,(H2,32,33,37)/t27-/m0/s1
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair