BindingDB logo
myBDB logout

BDBM50526824 CHEMBL4436773

SMILES: Brc1ccc(CC(=O)Cn2ccnn2)cc1

InChI Key: InChIKey=KGDFBUJUQIOHPF-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50526824   
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
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50526824
PNG
(CHEMBL4436773)
Show SMILES Brc1ccc(CC(=O)Cn2ccnn2)cc1
Show InChI InChI=1S/C11H10BrN3O/c12-10-3-1-9(2-4-10)7-11(16)8-15-6-5-13-14-15/h1-6H,7-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50526824
PNG
(CHEMBL4436773)
Show SMILES Brc1ccc(CC(=O)Cn2ccnn2)cc1
Show InChI InChI=1S/C11H10BrN3O/c12-10-3-1-9(2-4-10)7-11(16)8-15-6-5-13-14-15/h1-6H,7-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
More data for this
Ligand-Target Pair