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PDB code 2DY5

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 (HO-1)

  (267/267 = 100%)
(Rattus norvegicus (rat))
BDBM50183062
PNG
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17ClN2O2/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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MMDB

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Article
PubMed
n/an/a 4.00E+3n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heme Oxygenase 1 (HO-1)

  (267/267 = 100%)
(Rattus norvegicus (rat))
BDBM50183062
PNG
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17ClN2O2/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
PDB
MMDB

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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production


J Med Chem 51: 5943-52 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heme Oxygenase 1 (HO-1)

  (267/267 = 100%)
(Rattus norvegicus (rat))
BDBM50183062
PNG
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17ClN2O2/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
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output