BDBM16238 2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5-chlorophenoxy)acetic acid::IDD 388::IDD388::{2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F

InChI Key InChIKey=ZLIGBZRXAQNUFO-UHFFFAOYSA-N

Data  6 IC50  1 ITC

PDB links: 6 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 16238   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

LigandPNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Affinity DataIC50:  400nMpH: 7.0 T: 2°CAssay Description:The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

LigandPNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Affinity DataIC50:  400nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

LigandPNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Affinity DataIC50:  30nMAssay Description:Inhibition of human ALR2More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10 [K125R,V301L](Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Affinity DataIC50:  4.40E+3nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Affinity DataIC50:  2.70E+3nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire

LigandPNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Affinity DataIC50:  4.40E+3nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16238   

CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16238(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: 4.63kcal/mole ΔH°: -14.8kcal/mole logk: 3.15E+7
pH: 8.0 T: 24.85°C