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BDBM115431 US8637500, 301::US8637500, 454::US8637500, 455

SMILES: CC(=O)N1CCCC(C1)c1cccnc1Oc1ccc(Nc2ccc(C)cn2)cc1

InChI Key: InChIKey=KTPXENPNDMLGRM-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 115431   
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
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM115431
PNG
(US8637500, 301 | US8637500, 454 | US8637500, 455)
Show SMILES CC(=O)N1CCCC(C1)c1cccnc1Oc1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C24H26N4O2/c1-17-7-12-23(26-15-17)27-20-8-10-21(11-9-20)30-24-22(6-3-13-25-24)19-5-4-14-28(16-19)18(2)29/h3,6-13,15,19H,4-5,14,16H2,1-2H3,(H,26,27)
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PC sid
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Similars

US Patent
n/an/a 2n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 μL of serial diluted PDE10A (BPS Bi...


US Patent US8637500 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73MV
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM115431
PNG
(US8637500, 301 | US8637500, 454 | US8637500, 455)
Show SMILES CC(=O)N1CCCC(C1)c1cccnc1Oc1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C24H26N4O2/c1-17-7-12-23(26-15-17)27-20-8-10-21(11-9-20)30-24-22(6-3-13-25-24)19-5-4-14-28(16-19)18(2)29/h3,6-13,15,19H,4-5,14,16H2,1-2H3,(H,26,27)
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MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 μL of serial diluted PDE10A (BPS Bi...


US Patent US8637500 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73MV
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM115431
PNG
(US8637500, 301 | US8637500, 454 | US8637500, 455)
Show SMILES CC(=O)N1CCCC(C1)c1cccnc1Oc1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C24H26N4O2/c1-17-7-12-23(26-15-17)27-20-8-10-21(11-9-20)30-24-22(6-3-13-25-24)19-5-4-14-28(16-19)18(2)29/h3,6-13,15,19H,4-5,14,16H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0400n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 μL of serial diluted PDE10A (BPS Bi...


US Patent US8637500 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73MV
More data for this
Ligand-Target Pair