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BDBM50042042 CHEMBL3360164

SMILES: CCn1c(Nc2ccncc2F)nc2ccsc2c1=O

InChI Key: InChIKey=MLKUQBYTTYWBMW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50042042   
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 4B


(Homo sapiens (Human))
BDBM50042042
PNG
(CHEMBL3360164)
Show SMILES CCn1c(Nc2ccncc2F)nc2ccsc2c1=O
Show InChI InChI=1S/C13H11FN4OS/c1-2-18-12(19)11-10(4-6-20-11)17-13(18)16-9-3-5-15-7-8(9)14/h3-7H,2H2,1H3,(H,15,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50042042
PNG
(CHEMBL3360164)
Show SMILES CCn1c(Nc2ccncc2F)nc2ccsc2c1=O
Show InChI InChI=1S/C13H11FN4OS/c1-2-18-12(19)11-10(4-6-20-11)17-13(18)16-9-3-5-15-7-8(9)14/h3-7H,2H2,1H3,(H,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE7A (unknown origin)


Bioorg Med Chem Lett 25: 649-53 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.090
BindingDB Entry DOI: 10.7270/Q2542Q6P
More data for this
Ligand-Target Pair