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BDBM50083888 7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one::CHEMBL408797

SMILES: [O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12

InChI Key: InChIKey=YOGKDBMNVNETRZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50083888   
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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083888
PNG
(7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,...)
Show SMILES [O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083888
PNG
(7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,...)
Show SMILES [O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083888
PNG
(7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,...)
Show SMILES [O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
52n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083888
PNG
(7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,...)
Show SMILES [O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
199n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083888
PNG
(7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,...)
Show SMILES [O-][N+](=O)c1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair