new BindingDB logo
myBDB logout

BDBM50223443 CHEMBL391308::N-(2,6-dimethoxybenzyl)-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)butyl)-1H-indole-2-carboxamide

SMILES: CC[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(OC)cccc1OC)NC[C@H](O)c1ccc(O)c(CO)c1

InChI Key: InChIKey=CSNSFVRQSBQIPR-LXFBAYGMSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223443   
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))
BDBM50223443
PNG
(CHEMBL391308 | N-(2,6-dimethoxybenzyl)-5-((R)-2-((...)
Show SMILES CC[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(OC)cccc1OC)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C31H37N3O6/c1-4-23(32-17-28(37)20-9-11-27(36)22(14-20)18-35)13-19-8-10-25-21(12-19)15-26(34-25)31(38)33-16-24-29(39-2)6-5-7-30(24)40-3/h5-12,14-15,23,28,32,34-37H,4,13,16-18H2,1-3H3,(H,33,38)/t23-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.258n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair