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BDBM31655 CHEMBL179494::imidazole-dioxolane, 7

SMILES: Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1

InChI Key: InChIKey=DQRVOOHZRJYBIQ-RBBKRZOGSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 31655   
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))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
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Article
PubMed
n/an/a 4.00E+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 2 (HO-2)


(Rattus norvegicus (rat))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
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Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
PDB
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UniChem

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Article
PubMed
n/an/a 6.00E+3n/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