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BDBM204678 1-(2-chloro-phenyl)-7-(4-fluoro-benzyloxy)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline::US9540379, 77

SMILES: Cc1nc2cc(Oc3ccc(F)cc3)ccc2n2c(nnc12)-c1ccccc1Cl

InChI Key: InChIKey=BAPYHGMPJNBMLE-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 = 204678   
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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM204678
PNG
(1-(2-chloro-phenyl)-7-(4-fluoro-benzyloxy)-4-methy...)
Show SMILES Cc1nc2cc(Oc3ccc(F)cc3)ccc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H14ClFN4O/c1-13-21-26-27-22(17-4-2-3-5-18(17)23)28(21)20-11-10-16(12-19(20)25-13)29-15-8-6-14(24)7-9-15/h2-12H,1H3
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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))
BDBM204678
PNG
(1-(2-chloro-phenyl)-7-(4-fluoro-benzyloxy)-4-methy...)
Show SMILES Cc1nc2cc(Oc3ccc(F)cc3)ccc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H14ClFN4O/c1-13-21-26-27-22(17-4-2-3-5-18(17)23)28(21)20-11-10-16(12-19(20)25-13)29-15-8-6-14(24)7-9-15/h2-12H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 118n/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