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BDBM84214 (E)-2-butenedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenyl]formamide::(E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenyl]formamide::(E)-but-2-enedioic acid;N-[5-[(1R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide::FORMOTEROL FUMARATE::MLS000028758::SMR000058964::cid_6852396::fumaric acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenyl]formamide

SMILES: COc1ccc(cc1)[C@H](C)NC[C@H](O)c1ccc(O)c(NC=O)c1

InChI Key: InChIKey=BNQGTPNXLCGLFJ-SGTLLEGYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84214   
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))
BDBM84214
PNG
((E)-2-butenedioic acid;N-[2-hydroxy-5-[(1R)-1-hydr...)
Show SMILES COc1ccc(cc1)[C@H](C)NC[C@H](O)c1ccc(O)c(NC=O)c1
Show InChI InChI=1S/C18H22N2O4/c1-12(13-3-6-15(24-2)7-4-13)19-10-18(23)14-5-8-17(22)16(9-14)20-11-21/h3-9,11-12,18-19,22-23H,10H2,1-2H3,(H,20,21)/t12-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 10.8n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair