Compile Data Set for Download or QSAR
Found 166 of ki for UniProtKB: P10608
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50019443(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
Affinity DataKi:  0.320nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataKi:  0.460nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226717((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,27-21(29)13-24)16-7-10-23(3,11-8-16)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
Affinity DataKi:  0.460nMAssay Description:In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)More data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25764(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81885(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
Show SMILES CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
Show InChI InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
Affinity DataKi:  0.550nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25764(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
Affinity DataKi:  0.580nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226716(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
Affinity DataKi:  0.610nMAssay Description:Binding affinity against beta adrenergic receptor from rat heart tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226717((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,27-21(29)13-24)16-7-10-23(3,11-8-16)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
Affinity DataKi:  1.30nMAssay Description:Binding affinity against beta adrenergic receptor from rat lung tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226716(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
Affinity DataKi:  1.5nMAssay Description:Binding affinity against beta adrenergic receptor from rat lung tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25768(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
Affinity DataKi:  1.78nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226719(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
Affinity DataKi:  1.80nMAssay Description:Binding affinity against beta adrenergic receptor from rat heart tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataKi:  2.40nMAssay Description:Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenololMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81886(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
Affinity DataKi:  2.45nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226719(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
Affinity DataKi:  2.80nMAssay Description:Binding affinity against beta adrenergic receptor from rat lung tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50227815(Flavodilol)
Show SMILES CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3
Affinity DataKi:  4nMAssay Description:Inhibition constant from beta adrenergic receptor binding assayMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226718(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,16-7-10-23(3,11-8-16)27-21(29)13-24)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
Affinity DataKi:  4.5nMAssay Description:In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)More data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataKi:  6.5nMAssay Description:Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenololMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50240370(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
Show SMILES CC(C)NCC(O)COc1ccccc1OCC=C
Show InChI InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
Affinity DataKi:  9.77nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81882(CAS_93633-92-2 | YM-09538)
Show SMILES COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)
Affinity DataKi:  13.2nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50225368(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
Affinity DataKi:  20nMAssay Description:Binding affinity against beta adrenergic receptor from rat lung tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50226718(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C23H34BrN3O3/c1-22(2,16-7-10-23(3,11-8-16)27-21(29)13-24)26-14-17(28)15-30-20-6-4-5-19-18(20)9-12-25-19/h4-6,9,12,16-17,25-26,28H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
Affinity DataKi:  23nMAssay Description:In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)More data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50225368(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
Affinity DataKi:  31nMAssay Description:In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)More data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataKi:  43.6nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25758(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
Affinity DataKi:  67.6nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50019355(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
Affinity DataKi:  100nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50225367(Bromoacetyl Alprenolol Menthane)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
Affinity DataKi:  126nMAssay Description:Binding affinity against beta adrenergic receptor from rat lung tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50222197(CHEBI:15944 | CHEMBL155870)
Show SMILES COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3
Affinity DataKi:  200nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50222194(CHEBI:28651 | CHEMBL348881)
Show SMILES Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
Affinity DataKi:  300nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50027331(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
Affinity DataKi:  300nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25762(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
Affinity DataKi:  339nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM85190(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
Affinity DataKi:  340nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50225367(Bromoacetyl Alprenolol Menthane)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
Affinity DataKi:  391nMAssay Description:Binding affinity against beta adrenergic receptor from rat heart tissues was determinedMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81887(Butoxamine | CAS_1937-89-9)
Show SMILES COc1ccc(OC)c(c1)[C@@H](O)[C@H](C)NC(C)(C)C
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3/t10-,14-/m0/s1
Affinity DataKi:  468nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50222135(CHEMBL347351)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-7-10(2-3-14(17)19)6-13-12-9-16(21)15(20)8-11(12)4-5-18-13/h2-3,7-9,13,18-21H,4-6H2,1H3
Affinity DataKi:  500nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50042999(3,6-Difluoro-4-(1-hydroxy-2-methylamino-ethyl)-ben...)
Show SMILES CNCC(O)c1cc(F)c(O)c(O)c1F
Show InChI InChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3
Affinity DataKi:  710nMAssay Description:Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranesMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50029050((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
Affinity DataKi:  720nMAssay Description:Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranesMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50022784((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50094670(1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]ind...)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Show InChI InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50222195(Tetrahydropapaverine)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM86708(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50007170(Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1
Show InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30)/t20-,21+,22-,26?
Affinity DataKi:  1.02E+3nMAssay Description:Binding affinity towards beta adrenergic receptor using [3H]DHA as radioligandMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50222193(CHEBI:28611 | CHEMBL349584)
Show SMILES COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50227820(CHEMBL57544)
Show SMILES OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c23-16(12-22-15-6-7-15)13-25-17-8-9-18-19(24)11-20(26-21(18)10-17)14-4-2-1-3-5-14/h1-5,8-11,15-16,22-23H,6-7,12-13H2
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition constant from beta adrenergic receptor binding assayMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50019060((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
Affinity DataKi:  1.50E+3nMAssay Description:Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranesMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition constant from beta adrenergic receptor binding assayMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
Affinity DataKi:  1.70E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKi:  2.04E+3nMMore data for this Ligand-Target Pair
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50227814(CHEMBL291999)
Show SMILES CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-8-9-20-18(10-17)19(24)11-21(26-20)15-6-4-3-5-7-15/h3-11,14,16,22-23H,12-13H2,1-2H3
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition constant from beta adrenergic receptor binding assayMore data for this Ligand-Target Pair
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