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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A' and Ligand = 'BDBM50398003'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50398003
PNG
(CHEMBL2180402)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2nc(C)ccc2c1=O
Show InChI InChI=1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10A by fluorescence polarization assay


J Med Chem 55: 7299-331 (2012)


Article DOI: 10.1021/jm3004976
BindingDB Entry DOI: 10.7270/Q2C24XJK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50398003
PNG
(CHEMBL2180402)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2nc(C)ccc2c1=O
Show InChI InChI=1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10A by fluorescence polarization assay


J Med Chem 55: 7299-331 (2012)


Article DOI: 10.1021/jm3004976
BindingDB Entry DOI: 10.7270/Q2C24XJK
More data for this
Ligand-Target Pair