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BDBM50099150 CHEMBL368584::N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4]oxadiazolidin-2-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1

InChI Key: InChIKey=ZUOQKJZGQFTKGQ-NRFANRHFSA-N

Data: 2 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50099150   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50099150
PNG
(CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1
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9.49E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50099150
PNG
(CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1
PDB
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PubMed
7.40E+4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50099150
PNG
(CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1
PDB

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 20n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.


Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair