BDBM50044424 4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlorophenethyl)-1,3-dioxolan-4-yl)methylthio)benzenamine::4-{(2S,4S)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine::4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine::Azalanstat dihydrochloride::CHEMBL70611

SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1

InChI Key InChIKey=VYNIUBZKEWJOJP-UNMCSNQZSA-N

Data  5 KI  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50044424   

TargetAromatase(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataKi:  7.60nMAssay Description:Binding affinity for Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataKi:  28nMAssay Description:Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataKi:  35nMAssay Description:Binding affinity for corticoid 11-beta-hydroxylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataKi:  447nMAssay Description:Binding affinity for progesterone 17-alpha,20-lyaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataKi:  1.63E+3nMAssay Description:Binding affinity for cholesterol 17-alpha-hydroxylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of Sprague-Dawley rat brain HO2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  2.45E+4nMAssay Description:Inhibition of Sprague-Dawley rat brain microsome HO2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of Sprague-Dawley rat spleen microsome HO1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  2.44E+4nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  5.30E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  2.44E+4nMAssay Description:Inhibition of Sprague-Dawley rat brain microsome HO-2 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of Sprague-Dawley rat spleen HO1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  2.80E+4nMAssay Description:In vitro inhibitory concentration against heme oxygenase 2 from rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  6.00E+3nMAssay Description:In vitro inhibitory concentration against heme oxygenase 1 from rat spleenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  2.45E+4nMAssay Description:Inhibition of Sprague-Dawley rat brain HO-2 assessed as bilirubin formation after 60 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM50044424(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of Sprague-Dawley rat spleen microsomal HO-1 assessed as bilirubin formation after 60 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed