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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P09601   
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


(Homo sapiens (Human))
BDBM50315700
PNG
(CHEMBL4161975)
Show SMILES OC(Cn1ccnc1)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12,17,21H,11H2
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Article
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n/an/a 60n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HO-1 by spectrometry based assay


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM50535263
PNG
(CHEMBL4456149)
Show SMILES Brc1ccc(CCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15BrN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2
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n/an/a 250n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HO-1 by spectrometry based assay


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM50535261
PNG
(CHEMBL4541767)
Show SMILES C(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O/c1-2-4-17(5-3-1)14-21-18-8-6-16(7-9-18)10-12-20-13-11-19-15-20/h1-9,11,13,15H,10,12,14H2
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n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HO-1 by spectrometry based assay


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair
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
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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
Heme oxygenase 1


(Homo sapiens (Human))
BDBM50207199
PNG
(1-((2-(2-(4-bromophenyl)ethyl)-1,3-dioxolan-2-yl)m...)
Show SMILES Brc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17BrN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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CHEMBL
MCE
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HO-1 by spectrometry based assay


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM50535255
PNG
(CHEMBL4442308)
Show SMILES FC(F)(F)c1ccc(COc2ccc(CCn3ccnc3)cc2)cc1
Show InChI InChI=1S/C19H17F3N2O/c20-19(21,22)17-5-1-16(2-6-17)13-25-18-7-3-15(4-8-18)9-11-24-12-10-23-14-24/h1-8,10,12,14H,9,11,13H2
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HO-1 by spectrometry based assay


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair