BindingDB logo
myBDB logout

BDBM50223442 CHEMBL237709::N-(2,6-dimethoxybenzyl)-1-ethyl-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-1H-indole-2-carboxamide

SMILES: CCn1c(cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc12)C(=O)NCc1c(OC)cccc1OC

InChI Key: InChIKey=CTJWUZYCDWDADT-OLILMLBXSA-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 = 50223442   
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


(Homo sapiens (Human))		BDBM50223442
PNG
(CHEMBL237709 | N-(2,6-dimethoxybenzyl)-1-ethyl-5-(...)
Show SMILES CCn1c(cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc12)C(=O)NCc1c(OC)cccc1OC
Show InChI InChI=1S/C32H39N3O6/c1-5-35-26-11-9-21(13-20(2)33-18-29(38)22-10-12-28(37)24(15-22)19-36)14-23(26)16-27(35)32(39)34-17-25-30(40-3)7-6-8-31(25)41-4/h6-12,14-16,20,29,33,36-38H,5,13,17-19H2,1-4H3,(H,34,39)/t20-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/an/an/a 2.60n/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