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BDBM350894 2-Ethylthio-3-phenyl-4-oxo-3,4-dihydroquinazoline ::US9796687, Compound 16

SMILES: CCSc1nc2ccccc2c(=O)n1-c1ccccc1

InChI Key: InChIKey=CFELAOYYJGZQMD-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 350894   
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))
BDBM350894
PNG
(2-Ethylthio-3-phenyl-4-oxo-3,4-dihydroquinazoline ...)
Show SMILES CCSc1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H14N2OS/c1-2-20-16-17-14-11-7-6-10-13(14)15(19)18(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 using [3H]AMP after 20 mins by scintillation proximity assay


Eur J Med Chem 70: 781-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.035
BindingDB Entry DOI: 10.7270/Q2CR5X88
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM350894
PNG
(2-Ethylthio-3-phenyl-4-oxo-3,4-dihydroquinazoline ...)
Show SMILES CCSc1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C16H14N2OS/c1-2-20-16-17-14-11-7-6-10-13(14)15(19)18(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.90E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...


US Patent US9796687 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MDC
More data for this
Ligand-Target Pair