Compile Data Set for Download or QSAR
maximum 50k data
Found 36 Enz. Inhib. hit(s) with all data for entry = 50006976
TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50348176(CHEMBL1562432)
Affinity DataKi:  0.433nMAssay Description:Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM21173(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Affinity DataKi:  0.460nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

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:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50003019(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Affinity DataKi:  1.30nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50086173(CHEMBL17002 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-...)
Affinity DataKi:  1.40nMAssay Description:Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50086170((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Affinity DataKi:  2nMAssay Description:Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50116370(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Affinity DataKi:  4nMAssay Description:Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.0More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50233086(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Affinity DataKi:  5.5nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50020986(CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dio...)
Affinity DataKi:  6.5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50227339(CHEMBL158077)
Affinity DataKi:  6.5nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50391223(CHEMBL355370)
Affinity DataKi:  18nMAssay Description:In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(BOVINE)
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50391227(CHEMBL273671)
Affinity DataKi:  22nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50042209(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Affinity DataKi:  53nMAssay Description:In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Affinity DataKi:  54nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50118811(5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-...)
Affinity DataKi:  229nMAssay Description:In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50018159(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Affinity DataKi:  3.00E+3nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50391228(8-(P-Sulfophenyl)Theophylline | 8-(P-Sulfophenyl)T...)
Affinity DataKi:  4.50E+3nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mus musculus (mouse))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi:  1.03E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi:  1.05E+5nMAssay Description:Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonismMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A2a(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi: >2.50E+5nMAssay Description:Ability to inhibit U-46,619-induced contraction of isolated strips of guinea pig tracheal chain, which is the measure of thromboxane receptor antagon...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50391224(8-PHENYL THEOPHYLLINE | 8-PT | 8-Phenyl-1,3-dimeth...)
Affinity DataIC50:  500nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50391225(CHEMBL11348)
Affinity DataIC50:  1.00E+3nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  9.60E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.04E+4nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.07E+4nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.33E+4nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.90E+4nMAssay Description:Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig tracheaMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mus musculus (mouse))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataIC50:  1.05E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A2b(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataIC50:  1.30E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKd:  7.00E+6nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataEC50:  4.60E+4nMAssay Description:Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig tracheaMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKd:  0.170nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed