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3 similar compounds to monomer 50021260

Compile data set for download or QSAR
Wt: 379.4
BDBM50021252
Wt: 351.4
BDBM50021256
Wt: 351.4
BDBM50021259

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50021252,50021256,50021259   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021252
PNG
(CHEMBL3287904)
Show SMILES COc1nc2cccnc2n1C1CCC(CC1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H21N5OS/c1-26-20-24-16-6-4-12-21-18(16)25(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-7-17(15)27-19/h2-7,12-14H,8-11H2,1H3,(H,22,23)
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n/an/a 271n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021259
PNG
(CHEMBL3287906)
Show SMILES COc1nc2cccnc2n1[C@@H]1C[C@@H](C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+
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n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021256
PNG
(CHEMBL3287905)
Show SMILES COc1nc2cccnc2n1C1CC(C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
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Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)