Compile Data Set for Download or QSAR
Found 346 with Last Name = 'geronikaki' and Initial = 'a'
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
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
LigandPNGBDBM50112100(CHEMBL51202 | [4-[2-(2-tert-Butoxycarbonylamino-3-...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMMore data for this Ligand-Target Pair
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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24524((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)copy SMILEScopy InChI
Affinity DataKi:  1.17E+4nM ΔG°:  -28.1kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24516((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...)copy SMILEScopy InChI
Affinity DataKi:  1.17E+4nM ΔG°:  -28.1kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24523((2E,5E)-2-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]im...)copy SMILEScopy InChI
Affinity DataKi:  1.23E+4nM ΔG°:  -28.0kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24526((2E,5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylid...)copy SMILEScopy InChI
Affinity DataKi:  1.29E+4nM ΔG°:  -27.9kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24527((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-nitro...)copy SMILEScopy InChI
Affinity DataKi:  1.62E+4nM ΔG°:  -27.3kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24525((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-hydro...)copy SMILEScopy InChI
Affinity DataKi:  1.81E+4nM ΔG°:  -27.1kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24529((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)copy SMILEScopy InChI
Affinity DataKi:  2.28E+4nM ΔG°:  -26.5kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24515((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)copy SMILEScopy InChI
Affinity DataKi:  2.56E+4nM ΔG°:  -26.2kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24528((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-nitro...)copy SMILEScopy InChI
Affinity DataKi:  2.87E+4nM ΔG°:  -25.9kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24521((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...)copy SMILEScopy InChI
Affinity DataKi:  3.23E+4nM ΔG°:  -25.6kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24519((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...)copy SMILEScopy InChI
Affinity DataKi:  5.45E+4nM ΔG°:  -24.3kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24530((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-hydro...)copy SMILEScopy InChI
Affinity DataKi:  9.08E+4nM ΔG°:  -23.1kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
LigandPNGBDBM50612085(CHEMBL5269879)copy SMILES
Affinity DataKi:  1.00E+5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24522((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)copy SMILEScopy InChI
Affinity DataKi:  1.03E+5nM ΔG°:  -22.8kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24513((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...)copy SMILEScopy InChI
Affinity DataKi:  3.88E+5nM ΔG°:  -19.5kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24517((2E,5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thia...)copy SMILEScopy InChI
Affinity DataKi:  4.74E+5nM ΔG°:  -19.0kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24518((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...)copy SMILEScopy InChI
Affinity DataKi:  5.48E+5nM ΔG°:  -18.6kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Aristotle University

LigandPNGBDBM24520((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...)copy SMILEScopy InChI
Affinity DataKi:  1.09E+6nM ΔG°:  -16.9kJ/molepH: 7.0 T: 2°CAssay Description:SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GGDPubMed
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
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
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Inhibition of recombinant human DYKDDDD-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as sub...More data for this Ligand-Target Pair
LigandPNGBDBM50142318(CHEMBL428651 | {[2-Chloro-4-(3-oxo-2,3-diphenyl-pr...)copy SMILEScopy InChI
In DepthDetails
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