Compile Data Set for Download or QSAR
maximum 50k data
Found 780 Enz. Inhib. hit(s) with all data for entry = 50045176
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438273(CHEMBL2408384)
Affinity DataKi:  2.95E+4nMAssay Description:Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438272(CHEMBL560455)
Affinity DataKi:  3.23E+4nMAssay Description:Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438271(CHEMBL2408385)
Affinity DataKi:  5.76E+4nMAssay Description:Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438270(CHEMBL2408386)
Affinity DataKi:  5.95E+4nMAssay Description:Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438270(CHEMBL2408386)
Affinity DataKi:  1.05E+5nMAssay Description:Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438269(CHEMBL2408381)
Affinity DataKi:  1.51E+5nMAssay Description:Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Da Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50438268(CHEMBL2408383)
Affinity DataKi:  3.05E+5nMAssay Description:Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291635(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Affinity DataIC50:  0.200nMAssay Description:Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50519156(CHEMBL4466205)
Affinity DataIC50:  0.200nMAssay Description:Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327426(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  0.320nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327419(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  0.420nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327425(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  0.430nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327431(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291634(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Affinity DataIC50:  0.600nMAssay Description:Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327434(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  0.730nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327430(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327436(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291389(5-(4-phenoxyphenyl)-N4-((1-(vinylsulfonyl)piperidi...)
Affinity DataIC50:  0.800nMAssay Description:Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291512(N-(3-(4-amino-6-((4-phenoxyphenyl)amino)pyrimidin-...)
Affinity DataIC50:  1nMAssay Description:Inhibition of N-terminal GST-tagged human EGFR (696 to end aminoacids) expressed in baculovirus infected Sf21 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Emd Serono Research And Development Institute

Curated by ChEMBL
LigandPNGBDBM182517(US9145392, 218)
Affinity DataIC50:  1nMAssay Description:Inhibition of Akt (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327428(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50331787((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of recombinant Trypanosoma cruzi Cruzipain (104 to 212 residues) expressed in baculovirus expression system using Z-Phe-Arg-AMC as substra...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327432(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327422(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Emd Serono Research And Development Institute

Curated by ChEMBL
LigandPNGBDBM50572156(CHEMBL4853207)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of Akt (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50065124(CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Of Lisbon

Curated by ChEMBL
LigandPNGBDBM10246((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin releaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327435(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM19518((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of recombinant Trypanosoma cruzi Cruzipain (104 to 212 residues) expressed in baculovirus expression system using Z-Phe-Arg-AMC as substra...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327421(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327429(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50131531(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)
Affinity DataIC50:  2nMAssay Description:In vitro inhibition of Matrix metalloprotein 13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(RAT)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50129464(CHEMBL71355 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Affinity DataIC50:  2nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327420(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  2nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291413(1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Affinity DataIC50:  2.10nMAssay Description:Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Emd Serono Research And Development Institute

Curated by ChEMBL
LigandPNGBDBM182373(US9145392, 74)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of Akt (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50065115(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Affinity DataIC50:  2.30nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291513(N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...)
Affinity DataIC50:  2.90nMAssay Description:Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50065110(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Affinity DataIC50:  3nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50131518(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)
Affinity DataIC50:  3nMAssay Description:In vitro inhibition of tumor necrosis factor-alpha converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327423(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  3.30nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50327433(1-(2,3'-bipyridin-5-yl)-3-(4-(4-(3-oxa-8-azabicycl...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50327427(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of PI3K-alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50065127(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Affinity DataIC50:  4nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50131523((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydro...)
Affinity DataIC50:  4nMAssay Description:In vitro inhibition of tumor necrosis factor-alpha converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM291573(N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Affinity DataIC50:  4nMAssay Description:Inhibition of N-terminal GST-tagged human EGFR (696 to end aminoacids) expressed in baculovirus infected Sf21 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50065122(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Affinity DataIC50:  4nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50065119(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Affinity DataIC50:  4nMAssay Description:Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50327436(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)
Affinity DataIC50:  4nMAssay Description:Inhibition of PI3K-alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50131531(2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)
Affinity DataIC50:  4nMAssay Description:In vitro inhibition of Matrix metalloprotein-9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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