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BDBM50378490 CHEMBL565510

SMILES: O=C(C1CC1)c1ncn-2c1Cn1nccc1-c1ccccc-21

InChI Key: InChIKey=BQWZDXNKDYRCJK-UHFFFAOYSA-N

Data: 1 KI

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 = 50378490   
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378490
PNG
(CHEMBL565510)
Show SMILES O=C(C1CC1)c1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair