Compile Data Set for Download or QSAR
Found 120 Enz. Inhib. hit(s) with all data for entry = 50018758
LigandPNGBDBM13997(5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...)copy SMILEScopy InChI
Affinity DataKi:  0.920nMMore data for this Ligand-Target Pair
LigandPNGBDBM13996(4-amino-5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl...)copy SMILEScopy InChI
Affinity DataKi:  2.10nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)copy SMILEScopy InChI
Affinity DataKi:  22nMMore data for this Ligand-Target Pair
LigandPNGBDBM50131547(2-(N-(4-(2-acetamido-3-(4-(5-chloro-3-hydroxy-2-(m...)copy SMILEScopy InChI
Affinity DataKi:  40nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50612075(CHEMBL5288197)copy SMILES
Affinity DataKi:  107nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
LigandPNGBDBM13611(2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...)copy SMILEScopy InChI
Affinity DataKi:  250nMMore data for this Ligand-Target Pair
LigandPNGBDBM50118750(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)copy SMILEScopy InChI
Affinity DataKi:  270nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM13609(2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3...)copy SMILEScopy InChI
Affinity DataKi:  1.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50112100(CHEMBL51202 | [4-[2-(2-tert-Butoxycarbonylamino-3-...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50612074(CHEMBL5280965)copy SMILES
Affinity DataKi:  2.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50118765(3-(carboxyformamido)-5-(4-(carboxymethoxy)phenyl)t...)copy SMILEScopy InChI
Affinity DataKi:  2.50E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein phosphatase non-receptor type 1(Rattus norvegicus (rat))TBA
LigandPNGBDBM13606((3S)-3-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl...)copy SMILEScopy InChI
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50118779(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)copy SMILEScopy InChI
Affinity DataKi:  3.70E+4nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50612085(CHEMBL5269879)copy SMILES
Affinity DataKi:  1.00E+5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50612085(CHEMBL5269879)copy SMILES
Affinity DataKi:  1.20E+5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50118796(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)copy SMILEScopy InChI
Affinity DataKi:  1.80E+5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetReceptor-type tyrosine-protein phosphatase F(Homo sapiens (Human))TBA
LigandPNGBDBM50118796(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)copy SMILEScopy InChI
Affinity DataKi:  4.50E+5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetReceptor-type tyrosine-protein phosphatase F(Homo sapiens (Human))TBA
LigandPNGBDBM50118779(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+6nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50118779(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+6nMMore data for this Ligand-Target Pair
In DepthDetails
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))TBA
LigandPNGBDBM50612085(CHEMBL5269879)copy SMILES
Affinity DataKi:  3.60E+6nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM16315(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)copy SMILEScopy InChI
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)TBA
LigandPNGBDBM50122956(CHEMBL138065 | [2,4-Bis-(4-methoxy-benzoyl)-pyrrol...)copy SMILEScopy InChI
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50612073(CHEMBL5286261)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50142317((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)copy SMILEScopy InChI
LigandPNGBDBM50142318(CHEMBL428651 | {[2-Chloro-4-(3-oxo-2,3-diphenyl-pr...)copy SMILEScopy InChI
In DepthDetails
LigandPNGBDBM50142311(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)copy SMILEScopy InChI
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM16313(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)copy SMILEScopy InChI
Affinity DataIC50: 30nMMore data for this Ligand-Target Pair
LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)copy SMILEScopy InChI
Affinity DataIC50: 39nMMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50612080(CHEMBL5273049)copy SMILES
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50142312(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)copy SMILEScopy InChI
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50142313(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)copy SMILEScopy InChI
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50142307(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)copy SMILEScopy InChI
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)TBA
LigandPNGBDBM50612070(CHEMBL5286592)copy SMILES
Affinity DataIC50: 45nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)TBA
LigandPNGBDBM50612069(CHEMBL5279574)copy SMILES
Affinity DataIC50: 49nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50612081(CHEMBL5271166)copy SMILES
Affinity DataIC50: 60nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
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