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BDBM50357855 CHEMBL1916115

SMILES: COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3sc(C)nc3C)n21

InChI Key: InChIKey=XFCSSYSGGAIHKK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50357855   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357855
PNG
(CHEMBL1916115)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3sc(C)nc3C)n21
Show InChI InChI=1S/C18H17FN4OS/c1-8-16-9(2)22-18(17-10(3)20-11(4)25-17)23(16)13-6-12(19)7-14(24-5)15(13)21-8/h6-7H,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 621n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE2A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357855
PNG
(CHEMBL1916115)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3sc(C)nc3C)n21
Show InChI InChI=1S/C18H17FN4OS/c1-8-16-9(2)22-18(17-10(3)20-11(4)25-17)23(16)13-6-12(19)7-14(24-5)15(13)21-8/h6-7H,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair