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2 similar compounds to monomer 50021188

Compile data set for download or QSAR
Wt: 367.4
BDBM50021162
Wt: 351.7
BDBM50021168

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50021162,50021168   
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))
BDBM50021168
PNG
(CHEMBL3287661)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C18H14ClN5O/c1-25-18-23-15-3-2-10-20-17(15)24(18)14-7-5-13(6-8-14)22-16-9-4-12(19)11-21-16/h2-11H,1H3,(H,21,22)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021162
PNG
(CHEMBL3287660)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C22H17N5O/c1-28-22-26-19-7-4-14-23-21(19)27(22)17-11-9-16(10-12-17)24-20-13-8-15-5-2-3-6-18(15)25-20/h2-14H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 115n/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