Compile Data Set for Download or QSAR
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Found 33 Enz. Inhib. hit(s) with all data for entry = 50017960
TargetDihydrofolate reductase(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM18268(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Affinity DataKi:  0.0400nMAssay Description:Inhibition of DHFR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM21395(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Affinity DataKi:  2nMAssay Description:Antagonist activity at 5-HT2A (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAurora kinase B(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50241089(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Affinity DataIC50:  0.370nMAssay Description:Inhibition of Aurora B kinase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM4779(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50228403((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Affinity DataIC50:  1nMAssay Description:Inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi)
Panjab University

Curated by ChEMBL
LigandPNGBDBM50011477(ALBACONAZOLE | UR-9825)
Affinity DataIC50:  1nMAssay Description:Inhibition of Trypanosoma cruzi Sterol 14-alpha demethylaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50088386(Bunazosin | Bunazosin HCl)
Affinity DataIC50:  1.20nMAssay Description:Antagonist activity at Adrenergic alpha-1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Affinity DataIC50:  1.20nMAssay Description:Antagonist activity at Adrenergic alpha-1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50225112(43-715 | Arthrex | Proquazone)
Affinity DataIC50:  2nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606506(CHEMBL2132175)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606507(CHEMBL5218611)
Affinity DataIC50:  3nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50033111(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Affinity DataIC50:  5nMAssay Description:Antagonist activity at Adrenergic alpha-1 receptor in human Prostate cell in presence of (125I)-Heat by Competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetDihydrofolate reductase(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | US9422297, Ra...)
Affinity DataIC50:  9nMAssay Description:Inhibition of DHFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThymidylate synthase(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | US9422297, Ra...)
Affinity DataIC50:  9nMAssay Description:Inhibition of Thymidylate synthase (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606505(CHEMBL5218990)
Affinity DataIC50:  10nMAssay Description:Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Affinity DataIC50:  11nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50510888(CHEMBL4544826)
Affinity DataIC50:  12nMAssay Description:Inhibition of VEGFR-2 (unknown origin) using poly(Glu:Tyr)(4:1) and ATP as substrate by incubated for 1 hr by spectrophotometric based ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50536935(CHEMBL4533690)
Affinity DataIC50:  13nMAssay Description:Inhibition of PARP-1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50460751(CHEMBL4229214)
Affinity DataIC50:  17nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50579500(CHEMBL4864729)
Affinity DataIC50:  19nMAssay Description:Inhibition of GST-tagged FLT-3 (unknown origin) (Tyr567-Ser993 residues) expressed in baculovirus infected Sf9 insect cells using GGMEDIYFEFMGGKKK as...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606504(CHEMBL5218459)
Affinity DataIC50:  20nMAssay Description:Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAurora kinase A(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50579500(CHEMBL4864729)
Affinity DataIC50:  22nMAssay Description:Inhibition of recombinant GST Aurora A kinase (unknown origin) expressed in Sf9 insect cells incubated for 90 mins in presence of ATPMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50033110(ALFUZOSIN | CHEMBL709 | N-{3-[(4-amino-6,7-dimetho...)
Affinity DataIC50:  23nMAssay Description:Antagonist activity at Adrenergic alpha-1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Affinity DataIC50:  29nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Affinity DataIC50:  33nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606504(CHEMBL5218459)
Affinity DataIC50:  50nMAssay Description:Inhibition of VEGFR-2 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetHistone deacetylase(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606507(CHEMBL5218611)
Affinity DataIC50:  50nMAssay Description:Inhibition of HDAC (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50536935(CHEMBL4533690)
Affinity DataIC50:  68nMAssay Description:Inhibition of PARP-2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606505(CHEMBL5218990)
Affinity DataIC50:  80nMAssay Description:Inhibition of VEGFR-2 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAurora kinase B(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM14210(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Affinity DataIC50:  100nMAssay Description:Inhibition of human Aurora B kinaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAurora kinase A(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM14210(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Affinity DataIC50:  100nMAssay Description:Inhibition of human Aurora A kinaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Panjab University

Curated by ChEMBL
LigandPNGBDBM7001(6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)...)
Affinity DataIC50:  600nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
TargetProline--tRNA ligase(Plasmodium falciparum (isolate 3D7))
Panjab University

Curated by ChEMBL
LigandPNGBDBM50606503(CHEMBL322782)
Affinity DataEC50:  4nMAssay Description:Inhibition of Plasmodium falciparum 3D7 Prolyl-tRNA synthetaseMore data for this Ligand-Target Pair
In DepthDetails PubMed