null

SMILES CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S

InChI Key InChIKey=QNKLBACGOUFKKR-UHFFFAOYSA-N

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 312245   

TargetMyeloperoxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q24296US Patent
TargetThyroid peroxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+4nMAssay Description:To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q24296US Patent
TargetMyeloperoxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WW7M2NUS Patent
TargetThyroid peroxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+4nMAssay Description:MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WW7M2NUS Patent
TargetMyeloperoxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QJ7MD4US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44KMPubMed
TargetMyeloperoxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 16nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44KMPubMed
TargetMyeloperoxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44KMPubMed
TargetThyroid peroxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44KMPubMed
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44KMPubMed
TargetThyroid peroxidase(Homo sapiens (Human))
AstraZeneca AB

US Patent
LigandPNGBDBM312245(1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+4nMAssay Description:Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QJ7MD4US Patent