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SMILES: CCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12

InChI Key: InChIKey=HMHCDRWOANPTIA-UHFFFAOYSA-N

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 = 189300   
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))
BDBM189300
PNG
(US9173884, BC11-8 )
Show SMILES CCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12
Show InChI InChI=1S/C18H18N4OS2/c1-4-10-24-18-20-19-17-21(13-8-6-5-7-9-13)15(23)14-11(2)12(3)25-16(14)22(17)18/h5-9H,4,10H2,1-3H3
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

US Patent
n/an/a 200n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM189300
PNG
(US9173884, BC11-8 )
Show SMILES CCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12
Show InChI InChI=1S/C18H18N4OS2/c1-4-10-24-18-20-19-17-21(13-8-6-5-7-9-13)15(23)14-11(2)12(3)25-16(14)22(17)18/h5-9H,4,10H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 50n/an/an/an/an/an/a



Trustees of Boston College

US Patent


Assay Description
In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6...


US Patent US9173884 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DZ6
More data for this
Ligand-Target Pair