BDBM50373877 Betaxin::CA inhibitor, 3::THIAMINE (VIT B1)::ThOH::Thiamine::Vitamin B 1

SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO

InChI Key: InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N

Data: 9 KI  2 IC50  2 Kd

PDB links: 17 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 13 hits for monomerid = 50373877   

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
Thiamine-binding periplasmic protein (Escherichia coli (strain K12))	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
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Heat shock protein HSP 90-alpha (Human)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Transketolase (Human)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.80E+6	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 1 (Human)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 6 (Human)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		62	-9.83	n/a	n/a	n/a	n/a	n/a	7.5	25
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Carbonic anhydrase 2 (Human)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		85	-9.64	n/a	n/a	n/a	n/a	n/a	7.5	25
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Carbonic anhydrase 1 (Human)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		380	-8.75	n/a	n/a	n/a	n/a	n/a	7.5	25
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Acetylcholinesterase (Electric eel)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
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Acetylcholinesterase (Electric eel)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
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Acetylcholinesterase (Electric eel)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
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Acetylcholinesterase (Electric eel)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
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Solute carrier family 22 member 2 (Rat)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		6.46E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 1 (Rat)	BDBM50373877 (Vitamin B 1 | Betaxin | Thiamine | ThOH | THIAMINE...) Show SMILES Show InChI	GoogleScholar	UniChem		7.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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