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BDBM206789 US9249163, 97

SMILES: C(Oc1ccc2ccccc2n1)c1cn2c(cnc(N3CCOCC3)c2n1)-c1ccc(nc1)-c1nnn[nH]1

InChI Key: InChIKey=LSGBGKGXKVWBTK-UHFFFAOYSA-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 = 206789   
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))
BDBM206789
PNG
(US9249163, 97)
Show SMILES C(Oc1ccc2ccccc2n1)c1cn2c(cnc(N3CCOCC3)c2n1)-c1ccc(nc1)-c1nnn[nH]1
Show InChI InChI=1S/C26H22N10O2/c1-2-4-20-17(3-1)6-8-23(30-20)38-16-19-15-36-22(18-5-7-21(27-13-18)24-31-33-34-32-24)14-28-25(26(36)29-19)35-9-11-37-12-10-35/h1-8,13-15H,9-12,16H2,(H,31,32,33,34)
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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM206789
PNG
(US9249163, 97)
Show SMILES C(Oc1ccc2ccccc2n1)c1cn2c(cnc(N3CCOCC3)c2n1)-c1ccc(nc1)-c1nnn[nH]1
Show InChI InChI=1S/C26H22N10O2/c1-2-4-20-17(3-1)6-8-23(30-20)38-16-19-15-36-22(18-5-7-21(27-13-18)24-31-33-34-32-24)14-28-25(26(36)29-19)35-9-11-37-12-10-35/h1-8,13-15H,9-12,16H2,(H,31,32,33,34)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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