null
SMILES: CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
InChI Key: InChIKey=QNKLBACGOUFKKR-UHFFFAOYSA-N
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)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 13 | 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)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30E+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 | |||||||||||||
Myeloperoxidase (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 13 | 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 | |||||||||||||
Thyroid peroxidase (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30E+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)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 13 | 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) BindingDB Entry DOI: 10.7270/Q2QJ7MD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid peroxidase (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid peroxidase (Homo sapiens (Human)) | BDBM312245 (1-{4-Chloro-2-[(methylamino)methyl]benzyl}-2-thiox...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30E+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) BindingDB Entry DOI: 10.7270/Q2QJ7MD4 | |||||||||||
More data for this Ligand-Target Pair |