Compile Data Set for Download or QSAR
Report error Found 36 Enz. Inhib. hit(s) with all data for entry = 50006976
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
Affinity DataKd:  7.00E+6nMAssay Description:Binding affinity to human notum assessed as dissociation constant by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
Affinity DataEC50:  4.60E+4nMAssay Description:Inhibition of human notum transfected with HEK293 cell incubated for 16 hrs by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50207816(N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3...)
Affinity DataKd:  0.170nMAssay Description:Binding affinity to human adenosine A1 receptor assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50391224(8-PHENYL THEOPHYLLINE | 8-Phenyl-1,3-dimethylxanth...)
Affinity DataIC50: 500nMAssay Description:Antagonist activity at human A1 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50391225(CHEMBL11348)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human A1 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of human A2a adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A2b(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of human A2b adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of human A1 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of human A3 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human notum using OTPS as substrate incubated for 16 hrs by fluorescent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human A3 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human PDE4More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataIC50: 1.05E+5nMAssay Description:Inhibition of human A1 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibition of human A2b adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human A2a adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50348176(CHEMBL1562432)
Affinity DataKi:  0.433nMAssay Description:Binding affinity to human A3 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21173(DPCPX | CHEMBL183 | 8-cyclopentyl-1,3-dipropyl-2,3...)
Affinity DataKi:  0.460nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor derived from rat brain membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50058235(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)
Affinity DataKi:  0.950nMAssay Description:Binding affinity to human A1 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50003019(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]cyclohexyladen from A1 adenosine receptor derived from in guinea pig brain membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50086173(N-(4-acetylphenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [125I]IABOPX to human A2B receptor assessed as inhibition constant by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50086170(CHEMBL1628266 | N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo...)
Affinity DataKi:  2nMAssay Description:Displacement of [125I]IABOPX to human A2B receptor assessed as inhibition constant by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50116370(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Affinity DataKi:  4nMAssay Description:Binding affinity to human A3 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50233086(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]DPCPX to human A2B adenosine receptor derived from HEK cells assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50020986(CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dio...)
Affinity DataKi:  6.5nMAssay Description:Binding affinity to human A1 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50227339(CHEMBL158077)
Affinity DataKi:  6.5nMAssay Description:Binding affinity to human A1 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50391223(CHEMBL355370)
Affinity DataKi:  18nMAssay Description:Displacement of f [125I]ABA to human A3 adenosine receptor derived from CHO cell membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Bovine)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50391227(CHEMBL273671)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor derived from bovine brain membrane assessed as inhibition constant incubated for 2 hrs by liquid s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53nMAssay Description:Displacement of [125I]IABOPX to human A2B receptor assessed as inhibition constant by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50037429(cid_5353365 | CSC | 8-[(E)-2-(3-chlorophenyl)ethen...)
Affinity DataKi:  54nMAssay Description:Binding affinity to A2 adenosine receptor derived from rat striatum assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50118811(5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-...)
Affinity DataKi:  229nMAssay Description:Displacement of [1251]AB-MEC from human A3 receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50018159(8-(4-Carboxyphenyl)theophylline | CHEMBL11048 | 4-...)
Affinity DataKi:  3.00E+3nMAssay Description:Displacement of [3H]cyclohexyladen from A1 adenosine receptor derived from rat cerebral cortical membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50391228(CHEMBL8488 | 8-(P-Sulfophenyl)Theophylline | 8-(P-...)
Affinity DataKi:  4.50E+3nMAssay Description:Displacement of [3H]cyclohexyladen from A1 adenosine receptor derived from rat cerebral cortical membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human PDE4 assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataKi:  1.03E+5nMAssay Description:Inhibition of human A3 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataKi:  1.05E+5nMAssay Description:Inhibition of human A1 adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(theobromine | CHEMBL1114 | 3,7-dihydro-3,7-dimethy...)
Affinity DataKi: >2.50E+5nMAssay Description:Inhibition of human A2a adenosine receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed