Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 50004514
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50330427(5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
Affinity DataKi:  0.850nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50330427(5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
Affinity DataKi:  1.20nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Leu308Ala mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50330427(5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
Affinity DataKi:  1.5nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50330427(5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
Affinity DataKi:  1.70nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Leu308Val mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50330427(5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
Affinity DataKi:  4.80nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Leu54Val mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM26269(3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...)
Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Affinity DataKi:  6.60nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM26269(3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...)
Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Affinity DataKi:  7nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50330427(5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
Affinity DataKi:  70nMAssay Description:Competitive inhibition of human recombinant AKR1C1 Leu306Ala mutant by fluorescence assayMore data for this Ligand-Target Pair