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SMILES: Cc1ccc(C)c2nc(CCc3nc4c(ccc5ncccc45)n3C)cnc12

InChI Key: InChIKey=IPXQFIRCZRVDNA-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 = 362528   
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))
BDBM362528
PNG
(US10562916, Compound 88 | US9834564, Compound 88)
Show SMILES Cc1ccc(C)c2nc(CCc3nc4c(ccc5ncccc45)n3C)cnc12
Show InChI InChI=1S/C23H21N5/c1-14-6-7-15(2)22-21(14)25-13-16(26-22)8-11-20-27-23-17-5-4-12-24-18(17)9-10-19(23)28(20)3/h4-7,9-10,12-13H,8,11H2,1-3H3
PDB
MMDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



Sunovion Pharmaceuticals, Inc.

US Patent


Assay Description
In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...


US Patent US10562916 (2020)


BindingDB Entry DOI: 10.7270/Q2N87D6K
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM362528
PNG
(US10562916, Compound 88 | US9834564, Compound 88)
Show SMILES Cc1ccc(C)c2nc(CCc3nc4c(ccc5ncccc45)n3C)cnc12
Show InChI InChI=1S/C23H21N5/c1-14-6-7-15(2)22-21(14)25-13-16(26-22)8-11-20-27-23-17-5-4-12-24-18(17)9-10-19(23)28(20)3/h4-7,9-10,12-13H,8,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

US Patent


Assay Description
The activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 e...


US Patent US9834564 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VN4
More data for this
Ligand-Target Pair