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BDBM197758 US9216986, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-6-fluoro-4-methoxy-quinoline::US9801878, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-6-fluoro-4-methoxy-quinoline

SMILES: COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12

InChI Key: InChIKey=RVNLAISERMFIRL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 197758   
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))
BDBM197758
PNG
(US9216986, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12
Show InChI InChI=1S/C19H18FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-8-13(20)4-6-16(15)22-14/h4,6,8-10H,5,7H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 520n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9801878 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20CD
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM197758
PNG
(US9216986, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12
Show InChI InChI=1S/C19H18FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-8-13(20)4-6-16(15)22-14/h4,6,8-10H,5,7H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9216986 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XG5
More data for this
Ligand-Target Pair