BDBM50241361 CHEMBL1515::METHIMAZOLE::US9138393, Methimazole::US9144538, Methimazole
SMILES: Cn1cc[nH]c1=S
InChI Key: InChIKey=PMRYVIKBURPHAH-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 |
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Dopamine beta-hydroxylase (Bos taurus) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 4.5 | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6 | J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 4.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungkuang University Curated by ChEMBL | Assay Description Mixed-type inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot... | Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine beta-hydroxylase (Bos taurus) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | 7.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 6.6 | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5 | J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Rattus norvegicus) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactoperoxidase (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science Curated by ChEMBL | Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC | J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC Curated by ChEMBL | Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay | Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Procter & Gamble Company US Patent | Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ... | US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.43E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hungkuang University Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA | Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine beta-hydroxylase (Bos taurus) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 7.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Dopamine beta hydroxylase. | J Med Chem 29: 2465-72 (1987) BindingDB Entry DOI: 10.7270/Q2BR8R5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactoperoxidase (LPO) (Bos taurus (Bovine)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L-tyrosine substrate by reverse phase HPLC analysis | Citation and Details Article DOI: 10.1007/s00044-013-0475-x BindingDB Entry DOI: 10.7270/Q28055GB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Procter & Gamble Company US Patent | Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ... | US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair |