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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 = 'BDBM50385903'   
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))
BDBM50385903
PNG
(CHEMBL2041614)
Show SMILES COc1cc(CNC(=O)c2ccc(o2)-c2ccc(C)cc2[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O7/c1-13-5-6-15(16(9-13)24(26)27)17-7-8-18(31-17)22(25)23-12-14-10-19(28-2)21(30-4)20(11-14)29-3/h5-11H,12H2,1-4H3,(H,23,25)
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PC cid
PC sid
UniChem
Article
PubMed
7.22E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50385903
PNG
(CHEMBL2041614)
Show SMILES COc1cc(CNC(=O)c2ccc(o2)-c2ccc(C)cc2[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O7/c1-13-5-6-15(16(9-13)24(26)27)17-7-8-18(31-17)22(25)23-12-14-10-19(28-2)21(30-4)20(11-14)29-3/h5-11H,12H2,1-4H3,(H,23,25)
PDB
MMDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair