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BDBM124562 US8759532, 243::US8759532, 250

SMILES: O[C@@H]1CCC[C@H](C1)c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=ULRZEXNCMHFJNG-QZTJIDSGSA-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 = 124562   
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))
BDBM124562
PNG
(US8759532, 243 | US8759532, 250)
Show SMILES O[C@@H]1CCC[C@H](C1)c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H23N3O3/c29-18-6-3-5-17(15-18)20-7-4-14-26-25(20)31-19-12-10-16(11-13-19)23(30)24-27-21-8-1-2-9-22(21)28-24/h1-2,4,7-14,17-18,29H,3,5-6,15H2,(H,27,28)/t17-,18-/m1/s1
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PC sid
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Similars

US Patent
n/an/a 0.585n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
To check the inhibition profile, 5 μL of serial diluted compounds were incubated with 5 μL of diluted PDE10 enzyme (BPS Bioscience, San Die...


US Patent US8759532 (2014)


BindingDB Entry DOI: 10.7270/Q25D8QHR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM124562
PNG
(US8759532, 243 | US8759532, 250)
Show SMILES O[C@@H]1CCC[C@H](C1)c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H23N3O3/c29-18-6-3-5-17(15-18)20-7-4-14-26-25(20)31-19-12-10-16(11-13-19)23(30)24-27-21-8-1-2-9-22(21)28-24/h1-2,4,7-14,17-18,29H,3,5-6,15H2,(H,27,28)/t17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.145n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
To check the inhibition profile, 5 μL of serial diluted compounds were incubated with 5 μL of diluted PDE10 enzyme (BPS Bioscience, San Die...


US Patent US8759532 (2014)


BindingDB Entry DOI: 10.7270/Q25D8QHR
More data for this
Ligand-Target Pair