BDBM50083896 1-Methyl-7-nitro-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one::CHEMBL170808

SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1[N+]([O-])=O)[N+]([O-])=O

InChI Key InChIKey=JLCBYDSLJHLQQB-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50083896   

TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50083896(1-Methyl-7-nitro-5-(2-nitro-phenyl)-1,3-dihydro-be...)
Affinity DataKi:  0.490nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50083896(1-Methyl-7-nitro-5-(2-nitro-phenyl)-1,3-dihydro-be...)
Affinity DataKi:  0.760nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50083896(1-Methyl-7-nitro-5-(2-nitro-phenyl)-1,3-dihydro-be...)
Affinity DataKi:  7.70nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50083896(1-Methyl-7-nitro-5-(2-nitro-phenyl)-1,3-dihydro-be...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed