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BDBM50365480 CHEMBL1957366

SMILES: Oc1c(C#N)c(nc2ccncc12)-c1ccc(cc1)-c1ccccc1OC(F)(F)F

InChI Key: InChIKey=VHBHGRJDLFMVBX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50365480   
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))
BDBM50365480
PNG
(CHEMBL1957366)
Show SMILES Oc1c(C#N)c(nc2ccncc12)-c1ccc(cc1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c23-22(24,25)30-19-4-2-1-3-15(19)13-5-7-14(8-6-13)20-16(11-26)21(29)17-12-27-10-9-18(17)28-20/h1-10,12H,(H,28,29)
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MMDB

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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrs


Bioorg Med Chem Lett 22: 1944-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.046
BindingDB Entry DOI: 10.7270/Q2KH0NTP
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50365480
PNG
(CHEMBL1957366)
Show SMILES Oc1c(C#N)c(nc2ccncc12)-c1ccc(cc1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c23-22(24,25)30-19-4-2-1-3-15(19)13-5-7-14(8-6-13)20-16(11-26)21(29)17-12-27-10-9-18(17)28-20/h1-10,12H,(H,28,29)
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Article
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHODH transmembrane domain using 2,6-dichloroindophenol sodium, L-Dihydroorotic acid, and decylubiquinone as substrat...


Bioorg Med Chem Lett 22: 1944-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.046
BindingDB Entry DOI: 10.7270/Q2KH0NTP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50365480
PNG
(CHEMBL1957366)
Show SMILES Oc1c(C#N)c(nc2ccncc12)-c1ccc(cc1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c23-22(24,25)30-19-4-2-1-3-15(19)13-5-7-14(8-6-13)20-16(11-26)21(29)17-12-27-10-9-18(17)28-20/h1-10,12H,(H,28,29)
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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B catalytic domain using cAMP as substrate preincubated for 20 mins measured after 4 hrs


Bioorg Med Chem Lett 22: 1944-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.046
BindingDB Entry DOI: 10.7270/Q2KH0NTP
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50365480
PNG
(CHEMBL1957366)
Show SMILES Oc1c(C#N)c(nc2ccncc12)-c1ccc(cc1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c23-22(24,25)30-19-4-2-1-3-15(19)13-5-7-14(8-6-13)20-16(11-26)21(29)17-12-27-10-9-18(17)28-20/h1-10,12H,(H,28,29)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length PDE2A3 using cAMP as substrate preincubated for 20 mins measured after 4 hrs


Bioorg Med Chem Lett 22: 1944-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.046
BindingDB Entry DOI: 10.7270/Q2KH0NTP
More data for this
Ligand-Target Pair