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BDBM50021260 CHEMBL3287907

SMILES: COc1nc2cccnc2n1[C@H]1C[C@@H](C1)Nc1nc2ccccc2s1

InChI Key: InChIKey=QSZCDYHTHAAFAW-HAQNSBGRSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50021260   
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))
BDBM50021260
PNG
(CHEMBL3287907)
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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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 0.800n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)