Compile Data Set for Download or QSAR
maximum 50k data
Found 91 Enz. Inhib. hit(s) with all data for entry = 50016242
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataKi: <0.100nMAssay Description:Inhibition of EZH2 Y641N mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCannabinoid receptor 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50272462(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity towards human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50156024(CHEMBL3780852)
Affinity DataKi:  0.800nMAssay Description:Binding affinity towards human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50193709(CHEMBL3911017)
Affinity DataKi:  1.20nMAssay Description:Inhibition of EZH2 Y641N mutant (unknown origin)More data for this Ligand-Target Pair
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50206092(CHEMBL3917143 | US10336721, Example 32 | US1096819...)
Affinity DataKi:  14nMAssay Description:Inhibition of recombinant human MIF tautomerase activity using 4-hydroxyphenyl pyruvic acid (HPP) as substrate pre-incubated for 30 mins and followed...More data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593504(CHEMBL5187095)
Affinity DataKi:  17nMAssay Description:Antagonist activity at sigma1 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593505(CHEMBL5183349)
Affinity DataKi:  22nMAssay Description:Antagonist activity at sigma1 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50206062(CHEMBL3890541 | US10968198, Example 44)
Affinity DataKi:  37nMAssay Description:Inhibition of recombinant human MIF tautomerase activity using 4-hydroxyphenyl pyruvic acid (HPP) as substrate pre-incubated for 30 mins and followed...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50156028(CHEMBL3781544)
Affinity DataKi:  60nMAssay Description:Binding affinity towards human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50206061(CHEMBL3953102 | US10336721, Example 1 | US10968198...)
Affinity DataKi:  230nMAssay Description:Inhibition of recombinant human MIF tautomerase activity using 4-hydroxyphenyl pyruvic acid (HPP) as substrate pre-incubated for 30 mins and followed...More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50241831(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Affinity DataIC50:  0.0560nMAssay Description:Inhibition of PDE5 (unknown origin) using FAM-cGMP or FAM-cAMP as substrate incubated for 60 mins and measured by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPresenilin-1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593499(CHEMBL5202466)
Affinity DataIC50:  0.178nMAssay Description:Inhibition of gamma-secretase (unknown origin) assessed as decrease in Abeta42 levelsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPresenilin-1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593498(CHEMBL5198066)
Affinity DataIC50:  0.225nMAssay Description:Inhibition of gamma-secretase (unknown origin) assessed as decrease in Abeta42 levelsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50428976(CHEMBL2333219)
Affinity DataIC50:  0.370nMAssay Description:Inhibition of PDE5 (unknown origin) using FAM-cGMP or FAM-cAMP as substrate incubated for 60 mins and measured by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593497(CHEMBL5180183)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of recombinant human sEH using CMNPC as substrate incubated for 10 mins and measured by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50383292(CHEMBL2029438)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of EGFR L858R/T790M double mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM20557(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Affinity DataIC50:  0.900nMAssay Description:Antagonist activity at TRPV1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPresenilin-1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593495(CHEMBL5196156)
Affinity DataIC50:  1nMAssay Description:Modulation of gamma-secretase (unknown origin) assessed as decrease in free Abeta42 levelsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50108504(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM16995(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Affinity DataIC50:  4nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50593495(CHEMBL5196156)
Affinity DataIC50:  4.5nMAssay Description:Modulation of gamma-secretase (unknown origin) assessed as decrease in total Abeta42 levelsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM17009(Indolinone based compound, 17 | N-[(5-{1-[(3Z)-5-(...)
Affinity DataIC50:  6nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVoltage-dependent T-type calcium channel subunit alpha-1I(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50200893(CHEMBL3913893)
Affinity DataIC50:  6nMAssay Description:Inhibition of Cav3.3 subunit 1alpha-l(unknown origin) stably transfected in HEK293 cells measured by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593491(CHEMBL5177707)
Affinity DataIC50:  8nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593494(CHEMBL5188568)
Affinity DataIC50:  9.20nMAssay Description:Inhibition of EGFR L858R/T790M double mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50015448(CHEMBL3265032)
Affinity DataIC50:  11nMAssay Description:Inhibition of SYK (unknown origin)More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593496(CHEMBL5196077)
Affinity DataIC50:  12nMAssay Description:Modulation of gamma-secretase (unknown origin) assessed as decrease in free Abeta42 levelsMore 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))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593489(CHEMBL5180410)
Affinity DataIC50:  16nMAssay Description:Inhibition of p110alpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM16981(BX-201 | [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)...)
Affinity DataIC50:  20nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPresenilin-1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593496(CHEMBL5196077)
Affinity DataIC50:  21nMAssay Description:Modulation of gamma-secretase (unknown origin) assessed as decrease in total Abeta42 levelsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM20561(N-[4-({6-[4-(trifluoromethyl)cyclohex-1-en-1-yl]py...)
Affinity DataIC50:  27nMAssay Description:Antagonist activity at TRPV1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetO43924/P16499/P18545/P35913/P51160/Q13956(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50241831(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Affinity DataIC50:  30nMAssay Description:Inhibition of PDE6 (unknown origin) using FAM-cGMP or FAM-cAMP as substrate incubated for 60 mins and measured by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593492(CHEMBL4303204)
Affinity DataIC50:  32nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593508(CHEMBL5178051)
Affinity DataIC50:  37nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593509(CHEMBL5177155)
Affinity DataIC50:  37nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50133388(CHEMBL3632824)
Affinity DataIC50:  42nMAssay Description:Inhibition of human GSK3AMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50461473(CHEMBL4225824)
Affinity DataIC50:  50nMAssay Description:Inhibition of Plasmodium falciparum 3D7 plasmepsin IIMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetVoltage-dependent T-type calcium channel subunit alpha-1I(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50200854(CHEMBL3895005)
Affinity DataIC50:  55nMAssay Description:Inhibition of Cav3.3 subunit 1alpha-l(unknown origin) stably transfected in HEK293 cells measured by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50427326(CHEMBL2325697)
Affinity DataIC50:  61nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593500(CHEMBL5184230)
Affinity DataIC50:  74nMAssay Description:Inhibition of ATR (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))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593488(CHEMBL5190501)
Affinity DataIC50:  76nMAssay Description:Inhibition of p110alpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50148889(CHEMBL121896 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...)
Affinity DataIC50:  76nMAssay Description:Antagonist activity at human CRF1 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50071235(CHEMBL65078 | Cyclopropylmethyl-[3-(2,4-dichloro-p...)
Affinity DataIC50:  76nMAssay Description:Antagonist activity at human CRF1 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593490(CHEMBL5174884)
Affinity DataIC50:  80nMAssay Description:Inhibition of SYK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  81nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM377595(4-{[(6-chloro-2-oxo-1,2- | US10266495, Compound I-...)
Affinity DataIC50:  127nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50435164(CHEMBL2392756)
Affinity DataIC50:  136nMAssay Description:Inhibition of recombinant human sEH using CMNPC as substrate incubated for 10 mins and measured by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50133388(CHEMBL3632824)
Affinity DataIC50:  140nMAssay Description:Inhibition of human GSK3BMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50389083(CHEMBL2064535)
Affinity DataIC50:  230nMAssay Description:Inhibition of human GSK3AMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetO43924/P16499/P18545/P35913/P51160/Q13956(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50428976(CHEMBL2333219)
Affinity DataIC50:  339nMAssay Description:Inhibition of PDE6 (unknown origin) using FAM-cGMP or FAM-cAMP as substrate incubated for 60 mins and measured by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
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