BindingDB logo
myBDB logout

BDBM50393512 CHEMBL2158057

InChI string: InChI=1S/C17H14ClN3O/c18-13-4-1-3-12(9-13)15-16-14(5-2-8-19-16)17(22)21(20-15)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2

SMILES: Clc1cccc(c1)-c1nn(CC2CC2)c(=O)c2cccnc12

InChI Key: InChIKey=VOKFUDZELFPXBC-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50393512   
Target
(Institution)
LigandTarget
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))
BDBM50393512
PNG
(CHEMBL2158057)
Show SMILES Clc1cccc(c1)-c1nn(CC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C17H14ClN3O/c18-13-4-1-3-12(9-13)15-16-14(5-2-8-19-16)17(22)21(20-15)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 270n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393512
PNG
(CHEMBL2158057)
Show SMILES Clc1cccc(c1)-c1nn(CC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C17H14ClN3O/c18-13-4-1-3-12(9-13)15-16-14(5-2-8-19-16)17(22)21(20-15)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)

More data for this
Ligand-Target Pair