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BDBM50526841 CHEMBL4552523

SMILES: Fc1ccc(CO[C@@H](CCc2ccc(Cl)cc2)Cn2ccnc2)cc1

InChI Key: InChIKey=NHQIJMCHPLEILJ-FQEVSTJZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50526841   
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))
BDBM50526841
PNG
(CHEMBL4552523)
Show SMILES Fc1ccc(CO[C@@H](CCc2ccc(Cl)cc2)Cn2ccnc2)cc1 |r|
Show InChI InChI=1S/C20H20ClFN2O/c21-18-6-1-16(2-7-18)5-10-20(13-24-12-11-23-15-24)25-14-17-3-8-19(22)9-4-17/h1-4,6-9,11-12,15,20H,5,10,13-14H2/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/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))
BDBM50526841
PNG
(CHEMBL4552523)
Show SMILES Fc1ccc(CO[C@@H](CCc2ccc(Cl)cc2)Cn2ccnc2)cc1 |r|
Show InChI InChI=1S/C20H20ClFN2O/c21-18-6-1-16(2-7-18)5-10-20(13-24-12-11-23-15-24)25-14-17-3-8-19(22)9-4-17/h1-4,6-9,11-12,15,20H,5,10,13-14H2/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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