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BDBM50124644 CHEMBL3622894

SMILES: Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1

InChI Key: InChIKey=SAFPHTULZQIFPO-UHFFFAOYSA-N

Data: 1 KI

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 = 50124644   
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))
BDBM50124644
PNG
(CHEMBL3622894)
Show SMILES Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1
Show InChI InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24)
PDB
MMDB

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PC cid
PC sid
PDB
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Similars

PDB
PubMed
2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


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