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BDBM194392 US9200016, 74::US9902710, Compound 74

SMILES: COc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC

InChI Key: InChIKey=HNOPWTCIZSGUED-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 = 194392   
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 and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194392
PNG
(US9200016, 74 | US9902710, Compound 74)
Show SMILES COc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC
Show InChI InChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 1.20n/an/an/an/an/an/a



University of Mississippi



Assay Description
The phosphodiesterase assay was developed using the LANCE® cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1.5...


J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2PC34QT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194392
PNG
(US9200016, 74 | US9902710, Compound 74)
Show SMILES COc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC
Show InChI InChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 1.20n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair