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BDBM204152 8-chloro-1-[2-fluoro-5-(4-fluoro-butoxy)-phenyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline::US9540379, 17

SMILES: Cc1nc2ccc(Cl)cc2n2c(nnc12)-c1cc(OCCCCF)ccc1F

InChI Key: InChIKey=OMQJOVALTYGGLC-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 = 204152   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204152
PNG
(8-chloro-1-[2-fluoro-5-(4-fluoro-butoxy)-phenyl]-4...)
Show SMILES Cc1nc2ccc(Cl)cc2n2c(nnc12)-c1cc(OCCCCF)ccc1F
Show InChI InChI=1S/C20H17ClF2N4O/c1-12-19-25-26-20(27(19)18-10-13(21)4-7-17(18)24-12)15-11-14(5-6-16(15)23)28-9-3-2-8-22/h4-7,10-11H,2-3,8-9H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM204152
PNG
(8-chloro-1-[2-fluoro-5-(4-fluoro-butoxy)-phenyl]-4...)
Show SMILES Cc1nc2ccc(Cl)cc2n2c(nnc12)-c1cc(OCCCCF)ccc1F
Show InChI InChI=1S/C20H17ClF2N4O/c1-12-19-25-26-20(27(19)18-10-13(21)4-7-17(18)24-12)15-11-14(5-6-16(15)23)28-9-3-2-8-22/h4-7,10-11H,2-3,8-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA of PDE10A1 (AB 020593, 2340 bp) was synthesized and cloned into the vector pCR4. TOPO (Entelechon GmbH, Regensburg, Germany). The gene was th...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair