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BDBM31674 imidazole-dioxolane, 26

SMILES: Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)-c3ccccc3)O2)cc1

InChI Key: InChIKey=QBPWUUFVVAIYKZ-VSGBNLITSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 31674   
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 2 (HO-2)


(Rattus norvegicus (rat))
BDBM31674
PNG
(imidazole-dioxolane, 26)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)-c3ccccc3)O2)cc1 |r|
Show InChI InChI=1S/C28H27ClN2O3/c29-25-10-6-22(7-11-25)14-15-28(20-31-17-16-30-21-31)33-19-27(34-28)18-32-26-12-8-24(9-13-26)23-4-2-1-3-5-23/h1-13,16-17,21,27H,14-15,18-20H2/t27-,28-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+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 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31674
PNG
(imidazole-dioxolane, 26)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)-c3ccccc3)O2)cc1 |r|
Show InChI InChI=1S/C28H27ClN2O3/c29-25-10-6-22(7-11-25)14-15-28(20-31-17-16-30-21-31)33-19-27(34-28)18-32-26-12-8-24(9-13-26)23-4-2-1-3-5-23/h1-13,16-17,21,27H,14-15,18-20H2/t27-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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