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BDBM50079985 CHEMBL3415242

SMILES: Brc1cccc(OCCCCCn2ccnc2)c1

InChI Key: InChIKey=NAEQECYVIPSHLJ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50079985   
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 (HO-1)


(Rattus norvegicus (rat))
BDBM50079985
PNG
(CHEMBL3415242)
Show SMILES Brc1cccc(OCCCCCn2ccnc2)c1
Show InChI InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
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Article
PubMed
n/an/a 4.26E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO1 in Sprague-Dawley rat spleen microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam ...


Eur J Med Chem 96: 162-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.003
BindingDB Entry DOI: 10.7270/Q2KH0Q16
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM50079985
PNG
(CHEMBL3415242)
Show SMILES Brc1cccc(OCCCCCn2ccnc2)c1
Show InChI InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
PDB
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 4.26E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...


Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM50079985
PNG
(CHEMBL3415242)
Show SMILES Brc1cccc(OCCCCCn2ccnc2)c1
Show InChI InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
PDB
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins ...


Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM50079985
PNG
(CHEMBL3415242)
Show SMILES Brc1cccc(OCCCCCn2ccnc2)c1
Show InChI InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO2 in Sprague-Dawley rat brain microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam s...


Eur J Med Chem 96: 162-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.003
BindingDB Entry DOI: 10.7270/Q2KH0Q16
More data for this
Ligand-Target Pair