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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 31663   
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))
BDBM31663
PNG
(imidazole-dioxolane, 15)
Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r|
Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
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n/an/a 2.10E+3n/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 1


(Rattus norvegicus (rat))
BDBM31663
PNG
(imidazole-dioxolane, 15)
Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r|
Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
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n/an/a 2.10E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM31663
PNG
(imidazole-dioxolane, 15)
Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r|
Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductas...


Eur J Med Chem 158: 937-950 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.048
BindingDB Entry DOI: 10.7270/Q2NK3HQ4
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM31663
PNG
(imidazole-dioxolane, 15)
Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r|
Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
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n/an/a 1.60E+4n/an/an/an/a7.4n/a



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM31663
PNG
(imidazole-dioxolane, 15)
Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r|
Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
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n/an/a 1.60E+4n/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