BDBM50241361 CHEMBL1515::METHIMAZOLE::US9138393, Methimazole::US9144538, Methimazole

SMILES: CN1C=CNC1=S

InChI Key: InChIKey=PMRYVIKBURPHAH-UHFFFAOYSA-N

Data: 3 KI  15 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50241361   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Rat)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Lanosterol 14-alpha demethylase (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Lactoperoxidase (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Lactoperoxidase (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
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Polyphenol oxidase 2 (White button mushroom)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Polyphenol oxidase 2 (White button mushroom)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Lactoperoxidase (Bovine)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dopamine beta-hydroxylase (Bovine)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Dopamine beta-hydroxylase (Bovine)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
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					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (White button mushroom)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bovine)	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Show InChI	GoogleScholar	UniChem		7.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.6	n/a
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