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BDBM50124691 CHEMBL3622906

SMILES: Cc1c(N)nc(nc1Cl)C1CC1

InChI Key: InChIKey=YAXGQELQDGLZKV-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 = 50124691   
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))
BDBM50124691
PNG
(CHEMBL3622906)
Show SMILES Cc1c(N)nc(nc1Cl)C1CC1
Show InChI InChI=1S/C8H10ClN3/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3,(H2,10,11,12)
PDB
MMDB

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PDB
Article
PubMed
2.20E+3n/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


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)