Compile Data Set for Download or QSAR
Found 108 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-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-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-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-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-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-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-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-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
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-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
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
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-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
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-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-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81881(l-Metoprolol)
Show SMILES COCCc1ccc(OC[C@@H](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/t14-/m0/s1
Affinity DataKi:  2.45E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50333880(CHEMBL1614664 | Hypericin | Pseudohypericin)
Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
Affinity DataKi:  2.62E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25753(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
Affinity DataKi:  2.82E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50014407(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
Affinity DataKi:  2.90E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50029051((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Affinity DataKi:  4.20E+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-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50042998(5-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-d...)
Show SMILES NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1S/C8H10FNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H,3,10H2
Affinity DataKi:  5.50E+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-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25755(Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...)
Show SMILES CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
Show InChI InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
Affinity DataKi:  7.08E+3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50010685((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM35229(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Affinity DataKi: >1.00E+4nMMore 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+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81957(QUIPAZINE,8-Me)
Show SMILES Cc1cccc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C14H17N3/c1-11-3-2-4-12-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50007534(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50026053(3,5-Dibromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC
Show InChI InChI=1S/C15H20Br2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50026059(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC
Show InChI InChI=1S/C17H26N2O3/c1-4-12-8-9-14(22-3)15(16(12)20)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50026044(3-Bromo-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC
Show InChI InChI=1S/C17H25BrN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50026051(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
Show InChI InChI=1S/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50001888((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM22869(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50007518((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM48320(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50005118((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50026045((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM50002338((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM81884(d-Metoprolol)
Show SMILES COCCc1ccc(OC[C@H](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/t14-/m1/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
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