Compile Data Set for Download or QSAR
Report error Found 91 Enz. Inhib. hit(s) with all data for entry = 50016242
TargetMetabotropic glutamate receptor 2(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50399088(CHEMBL2179319)
Affinity DataEC50:  147nMAssay Description:Positive allosteric modulation of mGlu2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetAryl hydrocarbon receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataEC50:  1.40E+3nMAssay Description:Agonist activity at AhR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetAryl hydrocarbon receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50310361(3-(2',6'-Difluorophenyl)-1H-naphtho[2,1-b]pyran-1-...)
Affinity DataEC50:  200nMAssay Description:Agonist activity at AhR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50311793(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Affinity DataEC50:  1.70E+5nMAssay Description:Partial agonist activity at PPARdelta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50327101(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Affinity DataEC50:  2.20E+5nMAssay Description:Partial agonist activity at PPARdelta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50327103(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Affinity DataEC50:  7.60E+4nMAssay Description:Partial agonist activity at PPARdelta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetNuclear receptor ROR-gamma(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50012130(CHEMBL3263710)
Affinity DataEC50:  25nMAssay Description:Inverse agonist activity at human RORC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetOxysterols receptor LXR-beta(Mouse)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50454840(CHEMBL4208321)
Affinity DataEC50:  300nMAssay Description:Agonist activity at mouse LXRbetaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetOxysterols receptor LXR-beta(Mouse)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593501(CHEMBL5183697)
Affinity DataEC50:  790nMAssay Description:Agonist activity at mouse LXRbetaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593502(CHEMBL1215539)
Affinity DataKd:  0.540nMAssay Description:Inhibition of HSP90 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593503(CHEMBL5174695)
Affinity DataKd:  0.710nMAssay Description:Inhibition of HSP90 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetNuclear receptor ROR-gamma(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50050086(US9216988, 55 | CHEMBL3317836)
Affinity DataEC50:  30nMAssay Description:Inverse agonist activity at human RORC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMetabotropic glutamate receptor 2(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593506(CHEMBL5177038)
Affinity DataEC50:  78nMAssay Description:Positive allosteric modulation of mGlu2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetRetinoic acid receptor beta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50413261(AC-55649 | CHEMBL425027)
Affinity DataEC50:  6.90E+3nMAssay Description:Agonist activity at human RAR-beta2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetRetinoic acid receptor beta(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50413269(CHEMBL471422)
Affinity DataEC50:  8.00E+3nMAssay Description:Agonist activity at human RAR-beta2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetGlucose-dependent insulinotropic receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50420871(CHEMBL2086650)
Affinity DataEC50:  65nMAssay Description:Agonist activity at GPR119 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetGlucose-dependent insulinotropic receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50420845(CHEMBL2086680)
Affinity DataEC50:  5nMAssay Description:Agonist activity at GPR119 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetGlucose-dependent insulinotropic receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50433858(CHEMBL2382416)
Affinity DataEC50:  6nMAssay Description:Agonist activity at GPR119 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetGlucose-dependent insulinotropic receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593507(CHEMBL5197666)
Affinity DataEC50:  234nMAssay Description:Agonist activity at GPR119 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetGlucose-dependent insulinotropic receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593510(CHEMBL5179691)
Affinity DataEC50:  4nMAssay Description:Agonist activity at human GPR119More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetGlucose-dependent insulinotropic receptor(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593511(CHEMBL5188902)
Affinity DataEC50:  65nMAssay Description:Agonist activity at human GPR119More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593487(CHEMBL5199787)
Affinity DataEC50:  35nMAssay Description:Agonist activity at human PPARgammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50593486(CHEMBL5199658)
Affinity DataEC50:  3.60nMAssay Description:Agonist activity at human PPARgammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50495252(CHEMBL3104274)
Affinity DataKd:  1.40nMAssay Description:Binding affinity towards N-terminal biotinylated human HSP90-alpha (9 to 236 residues) measured by surface plasmon resonance (SPR) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50354813(CHEMBL1834096)
Affinity DataKd:  3.40nMAssay Description:Binding affinity towards N-terminal biotinylated human HSP90-alpha (9 to 236 residues) measured by surface plasmon resonance (SPR) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50241831(CHEMBL4062273 | US10899756, Compound U | US1062611...)
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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPresenilin-1(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPresenilin-1(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetBifunctional epoxide hydrolase 2(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTransient receptor potential cation channel subfamily V member 1(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM20557(N-[4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl...)
Affinity DataIC50: 0.900nMAssay Description:Antagonist activity at TRPV1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPresenilin-1(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(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 Depth
Date in BDB:
6/21/2023
Entry Details
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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetVoltage-dependent T-type calcium channel subunit alpha-1I(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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM17009(N-[(5-{1-[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydr...)
Affinity DataIC50: 6nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTyrosine-protein kinase SYK(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPresenilin-1(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM16981(indolinone based inhibitor, 3l | [(3Z)-2-oxo-3-(1H...)
Affinity DataIC50: 20nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPresenilin-1(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTransient receptor potential cation channel subfamily V member 1(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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetO43924/P16499/P18545/P35913/P51160/Q13956(Human)
Indian Institute of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM50241831(CHEMBL4062273 | US10899756, Compound U | US1062611...)
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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(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 Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(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
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
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