BindingDB logo
myBDB logout

BDBM50028886 CHEMBL3359633

SMILES: [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1

InChI Key: InChIKey=WQQNYFFWISBZNB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50028886   
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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
BindingDB Entry DOI: 10.7270/Q2S75HXC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescence polarization assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
BindingDB Entry DOI: 10.7270/Q2S75HXC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
BindingDB Entry DOI: 10.7270/Q2S75HXC
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50028886
PNG
(CHEMBL3359633)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncc2)c(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


J Med Chem 57: 8590-607 (2014)


Article DOI: 10.1021/jm501090m
BindingDB Entry DOI: 10.7270/Q2S75HXC
More data for this
Ligand-Target Pair