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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heme oxygenase 1' and Ligand = 'BDBM50183063'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50183063
PNG
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)
Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen HO1


J Med Chem 49: 4437-41 (2006)


Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heme oxygenase 1


(Homo sapiens (Human))
BDBM50183063
PNG
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)
Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of human spleen HO1


J Med Chem 49: 4437-41 (2006)


Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1
More data for this
Ligand-Target Pair