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BDBM50418465 CHEMBL1783265

SMILES: COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC(C)C4)c3=O)[nH]c12

InChI Key: InChIKey=ORLPLKBNIXEVHQ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418465   
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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50418465
PNG
(CHEMBL1783265)
Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC(C)C4)c3=O)[nH]c12 |(22.59,-18.14,;22.59,-16.6,;21.25,-15.83,;19.91,-16.61,;18.58,-15.83,;18.58,-14.29,;17.25,-13.52,;17.26,-11.98,;19.92,-13.54,;21.25,-14.29,;19.92,-12,;18.59,-11.23,;18.59,-9.68,;19.92,-8.91,;21.25,-9.67,;22.59,-8.89,;22.58,-7.35,;23.95,-9.66,;23.94,-11.22,;25.43,-11.71,;26.35,-10.44,;27.89,-10.45,;28.98,-11.54,;30.07,-10.45,;31.61,-10.45,;28.98,-9.36,;25.44,-9.18,;25.91,-7.71,;22.6,-12,;21.26,-11.23,)|
Show InChI InChI=1S/C24H25N3O3/c1-13-9-14(10-13)27-12-19-21(24(27)28)22(25)17-6-4-5-16(23(17)26-19)18-11-15(29-2)7-8-20(18)30-3/h4-8,11-14,26H,9-10,25H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14.4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Bioorg Med Chem 19: 2927-38 (2011)


Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98
More data for this
Ligand-Target Pair