BDBM312244 1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::US10016430, Example 7::US11000525, Example 7::US9616063, 7

SMILES NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S

InChI Key InChIKey=MFCVOLWLNXXQFY-UHFFFAOYSA-N

Data  16 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 312244   

TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human recombinant CYP2C9 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 1.90E+4nMAssay Description:Competitive inhibition of human recombinant CYP3A4 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human recombinant CYP2C19 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human recombinant CYP1A2 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataKd:  3.98E+3nMAssay Description:Displacement of benzhydroxamic acid from native state MPO (unknown origin) by 1D NMR reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetThyroid peroxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human recombinant TPO (1 to 839 residues) expressed in baculovirus-infected insect cells measured after 15 mins in presence of H2O2 by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of MPO in human HL-60 cells measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 15nMAssay 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
In Depth
Date in BDB:
5/7/2019
Entry Details
Go to US Patent

TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 16nMAssay Description:Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 15nMAssay Description:Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetThyroid peroxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 1.10E+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
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 15nMAssay 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
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

TargetThyroid peroxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 1.10E+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
In Depth
Date in BDB:
6/1/2020
Entry Details
Go to US Patent

TargetMyeloperoxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 15nMAssay 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
In Depth
Date in BDB:
6/1/2020
Entry Details
Go to US Patent

TargetThyroid peroxidase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM312244(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)
Affinity DataIC50: 1.10E+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
In Depth
Date in BDB:
5/7/2019
Entry Details
Go to US Patent