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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A' and Ligand = 'BDBM50151526'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
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MMDB

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Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4607-13 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.008
BindingDB Entry DOI: 10.7270/Q2377855
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
PDB
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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 140n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair