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BDBM193145 US9193736, 61

SMILES: OC(=O)c1ccc(s1)-c1c(CCc2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1

InChI Key: InChIKey=KKBVOEGVABXPPK-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 = 193145   
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 10A (PDE10A2)


(Homo sapiens (Human))
BDBM193145
PNG
(US9193736, 61)
Show SMILES OC(=O)c1ccc(s1)-c1c(CCc2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
Show InChI InChI=1S/C26H23N5O3S/c32-26(33)23-10-9-22(35-23)24-20(8-7-18-6-5-17-3-1-2-4-19(17)28-18)29-25-21(11-12-27-31(24)25)30-13-15-34-16-14-30/h1-6,9-12H,7-8,13-16H2,(H,32,33)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 6ÿH...


US Patent US9193736 (2015)


BindingDB Entry DOI: 10.7270/Q2XK8DCS
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM193145
PNG
(US9193736, 61)
Show SMILES OC(=O)c1ccc(s1)-c1c(CCc2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
Show InChI InChI=1S/C26H23N5O3S/c32-26(33)23-10-9-22(35-23)24-20(8-7-18-6-5-17-3-1-2-4-19(17)28-18)29-25-21(11-12-27-31(24)25)30-13-15-34-16-14-30/h1-6,9-12H,7-8,13-16H2,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 US9193736 (2015)


BindingDB Entry DOI: 10.7270/Q2XK8DCS
More data for this
Ligand-Target Pair