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BDBM50326542 (R)-N-(3,5-dichloro-4-hydroxybenzyl)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)-2-methylpropyl)phenyl)acetamide::CHEMBL1243068

SMILES: CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1

InChI Key: InChIKey=SOGRYZBVVDFFSY-VWLOTQADSA-N

Data: 1 EC50

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

Found 1 hit for monomerid = 50326542   
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))
BDBM50326542
PNG
((R)-N-(3,5-dichloro-4-hydroxybenzyl)-2-(3-(2-(2-hy...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H33Cl2N3O6S/c1-28(2,32-16-25(35)20-7-8-24(34)23(13-20)33-40(3,38)39)14-18-6-4-5-17(9-18)12-26(36)31-15-19-10-21(29)27(37)22(30)11-19/h4-11,13,25,32-35,37H,12,14-16H2,1-3H3,(H,31,36)/t25-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/a 0.0900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair