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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 = 'BDBM347639'   
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))
BDBM347639
PNG
(4-(1-methyl-3-(4-((1-methyl-1H-imidazol-2-yl)ethyn...)
Show SMILES Cn1cc(c(n1)-c1ccc(cc1)C#Cc1nccn1C)-c1ccncc1
Show InChI InChI=1S/C21H17N5/c1-25-14-13-23-20(25)8-5-16-3-6-18(7-4-16)21-19(15-26(2)24-21)17-9-11-22-12-10-17/h3-4,6-7,9-15H,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE10A (unknown origin) using cAMP/cGMP as substrate incubated for 60 mins by HTRF assay


ACS Med Chem Lett 9: 866-867 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00341
BindingDB Entry DOI: 10.7270/Q2T1567X
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM347639
PNG
(4-(1-methyl-3-(4-((1-methyl-1H-imidazol-2-yl)ethyn...)
Show SMILES Cn1cc(c(n1)-c1ccc(cc1)C#Cc1nccn1C)-c1ccncc1
Show InChI InChI=1S/C21H17N5/c1-25-14-13-23-20(25)8-5-16-3-6-18(7-4-16)21-19(15-26(2)24-21)17-9-11-22-12-10-17/h3-4,6-7,9-15H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



ABBVIE INC.; ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9790203 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VD4
More data for this
Ligand-Target Pair