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BDBM50365979 CHEMBL1956250

SMILES: COc1cc2nncc(-c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC

InChI Key: InChIKey=PPAWFHDEPAUENY-UHFFFAOYSA-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 = 50365979   
Target
(Institution)
LigandTarget
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))
BDBM50365979
PNG
(CHEMBL1956250)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC
Show InChI InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
PDB
MMDB

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PC cid
PC sid
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UniChem

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Similars

AffyNet 
PDB
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 22: 2262-5 (2012)

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