BindingDB logo
myBDB logout

null

SMILES: COc1cccc(Nc2c(cnc3c(C(C)C)c(nn23)S(C)(=O)=O)C(N)=O)c1

InChI Key: InChIKey=GYKIIBHKVXZXBY-UHFFFAOYSA-N

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 2 hits for monomerid = 50134430   
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/4B/4C/4D


(Homo sapiens (Human))
BDBM50134430
PNG
(CHEMBL3747248)
Show SMILES COc1cccc(Nc2c(cnc3c(C(C)C)c(nn23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H21N5O4S/c1-10(2)14-17-20-9-13(15(19)24)16(23(17)22-18(14)28(4,25)26)21-11-6-5-7-12(8-11)27-3/h5-10,21H,1-4H3,(H2,19,24)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL


Assay Description
Inhibition of PDE4 in human SHSY-5Y cells assessed as suppression of cAMP hydrolysis by HTRF assay in presence of dye d2 labelled cAMP


Bioorg Med Chem Lett 26: 454-9 (2016)


BindingDB Entry DOI: 10.7270/Q2X92D4M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50134430
PNG
(CHEMBL3747248)
Show SMILES COc1cccc(Nc2c(cnc3c(C(C)C)c(nn23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H21N5O4S/c1-10(2)14-17-20-9-13(15(19)24)16(23(17)22-18(14)28(4,25)26)21-11-6-5-7-12(8-11)27-3/h5-10,21H,1-4H3,(H2,19,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay


Bioorg Med Chem Lett 26: 454-9 (2016)


BindingDB Entry DOI: 10.7270/Q2X92D4M
More data for this
Ligand-Target Pair