BDBM16452 (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid::2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid::Alond::CHEMBL10372::Xedia::Zopolrestat

SMILES: c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O

InChI Key: InChIKey=BCSVCWVQNOXFGL-UHFFFAOYSA-N

Data: 2 KI  30 IC50

PDB links: 21 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 32 hits for monomerid = 16452   

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
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member B1 (Rat)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member B7 (Rat)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member B10 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member C21 (Mouse)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36.4	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member A1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	24
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Aldo-keto reductase family 1 member B1 (Rat)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rat)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rat)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	60	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	620	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
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Lactoylglutathione lyase (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	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
Aldo-keto reductase family 1 member B1 (Human)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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