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BDBM50020856 7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one::7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one::CHEMBL13209::NITRAZEPAM

SMILES: [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1

InChI Key: InChIKey=KJONHKAYOJNZEC-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50020856   
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
Histamine H1 receptor


(Homo sapiens (human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
Reactome pathway
KEGG

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Brain Res 304: 1-7 (1984)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (KDM4C)


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
PDB

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KEGG
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PC sid
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Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay


Bioorg Med Chem Lett 22: 5811-3 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (KDM4C)


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay


Bioorg Med Chem Lett 22: 5811-3 (2012)

More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+10n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)

More data for this
Ligand-Target Pair