BindingDB logo
myBDB logout

BDBM50128421 1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-2,2,2-trifluoro-1-phenyl-ethanol::CHEMBL56971

SMILES: OC(c1ccccc1)(c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)C(F)(F)F

InChI Key: InChIKey=XCEGRAOKZQCNEX-UHFFFAOYSA-N

Data: 1 IC50

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 = 50128421   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50128421
PNG
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC(c1ccccc1)(c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C28H21F7N2O4/c29-25(30)40-22-8-6-18(15-23(22)41-26(31)32)21(14-17-10-12-37(39)13-11-17)19-7-9-24(36-16-19)27(38,28(33,34)35)20-4-2-1-3-5-20/h1-13,15-16,21,25-26,38H,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4)

Bioorg Med Chem Lett 13: 1923-6 (2003)


BindingDB Entry DOI: 10.7270/Q25X289K
More data for this
Ligand-Target Pair