BDBM16314 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid::Alredase::CHEMBL436::N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine::Tolrestat

SMILES: CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC

InChI Key: InChIKey=LUBHDINQXIHVLS-UHFFFAOYSA-N

Data: 2 KI  43 IC50  1 ITC

PDB links: 7 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 45 hits for monomerid = 16314   

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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	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 A1 (Pig)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.19E+3	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 (Pig)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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 B10 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	54	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) 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 A1 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	720	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	950	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	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 A1 (Pig)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	540	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	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 A1 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.94E+3	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	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 A1 (Rat)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.21E+3	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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	96	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	47	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	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 (Pig)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) 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 (Rat)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	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 B10 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	12	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 C21 (Mouse)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.80E+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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	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 (Pig)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	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 B10 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	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 B1 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.85E+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 B10 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	54	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) 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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	34	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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	540	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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	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 [K65Q] (Bovine)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	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 (Pig)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	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 A1 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	65	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 B10 (Human)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		50	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 C21 (Mouse)	BDBM16314 (N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]c...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20E+4	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