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BDBM206859 US9249163, 18

SMILES: COCCOCCOc1ccc(cc1)-c1cnc(N2CCOCC2)c2nc(\C=C\c3ccc4ccccc4n3)cn12

InChI Key: InChIKey=MRWMFLSHVWCKQP-ZHACJKMWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 206859   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM206859
PNG
(US9249163, 18)
Show SMILES COCCOCCOc1ccc(cc1)-c1cnc(N2CCOCC2)c2nc(\C=C\c3ccc4ccccc4n3)cn12
Show InChI InChI=1S/C32H33N5O4/c1-38-18-19-40-20-21-41-28-12-7-25(8-13-28)30-22-33-31(36-14-16-39-17-15-36)32-35-27(23-37(30)32)11-10-26-9-6-24-4-2-3-5-29(24)34-26/h2-13,22-23H,14-21H2,1H3/b11-10+
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 83n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human recombinant PDE10A2 was expressed in Sf9 cells, using a recombinant baculovirus construct containing the full length sequence containing a 6×Hi...


US Patent US9249163 (2016)


BindingDB Entry DOI: 10.7270/Q27S7MMW
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM206859
PNG
(US9249163, 18)
Show SMILES COCCOCCOc1ccc(cc1)-c1cnc(N2CCOCC2)c2nc(\C=C\c3ccc4ccccc4n3)cn12
Show InChI InChI=1S/C32H33N5O4/c1-38-18-19-40-20-21-41-28-12-7-25(8-13-28)30-22-33-31(36-14-16-39-17-15-36)32-35-27(23-37(30)32)11-10-26-9-6-24-4-2-3-5-29(24)34-26/h2-13,22-23H,14-21H2,1H3/b11-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/a7.8n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Rat recombinant PDE10a (rPDE10a) was expressed in Sf9 cells using a recombinant rPDE10a baculovirus construct. Cells were harvested after 48 h of inf...


US Patent US9249163 (2016)


BindingDB Entry DOI: 10.7270/Q27S7MMW
More data for this
Ligand-Target Pair