BDBM312264 1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::US10016430, Example 14::US9616063, 14
SMILES: NCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F
InChI Key: InChIKey=KOPUWFPQOGVDBZ-UHFFFAOYSA-N
Data: 6 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Myeloperoxidase (Homo sapiens (Human)) | BDBM312264 (1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay 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... | US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid peroxidase (Homo sapiens (Human)) | BDBM312264 (1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ... | US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid peroxidase (Homo sapiens (Human)) | BDBM312264 (1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ASTRAZENECA AB US Patent | Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa... | US Patent US11000525 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid peroxidase (Homo sapiens (Human)) | BDBM312264 (1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay 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... | US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (Homo sapiens (Human)) | BDBM312264 (1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
ASTRAZENECA AB US Patent | Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa... | US Patent US11000525 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (Homo sapiens (Human)) | BDBM312264 (1-[2-(Aminomethyl)-4-(trifluoromethyl)benzyl]-2-th...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay 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... | US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N | |||||||||||
More data for this Ligand-Target Pair |