new BindingDB logo
myBDB logout

BDBM50223440 CHEMBL236040::N-(2-(methylthio)benzyl)-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-1H-indole-2-carboxamide

SMILES: CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1

InChI Key: InChIKey=UIZWXVFAIPLAJX-CLYVBNDRSA-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 = 50223440   
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))
BDBM50223440
PNG
(CHEMBL236040 | N-(2-(methylthio)benzyl)-5-((R)-2-(...)
Show SMILES CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C29H33N3O4S/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/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 0.0380n/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