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BDBM244151 US9428492, 20::US9428492, 20a::US9428492, 20b

SMILES: Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C

InChI Key: InChIKey=AZVXNJWTMXGGSL-YNAXMUEKSA-N

Data: 3 KI

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 3 hits for monomerid = 244151   
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))
BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550 -12.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.580 -12.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.920 -12.3n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...


US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair