Compile Data Set for Download or QSAR
Found 1080 of ki for UniProtKB: P19328
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50085683((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
Affinity DataKi:  0.0150nMAssay Description:In vitro binding affinity against alpha-2 adrenergic receptor in ratMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM81807(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
Affinity DataKi:  0.126nMAssay Description:In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligandMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81804(4-chloro-2-(2-imidazolin-2-ylamino)isoindoline | B...)
Show SMILES Clc1cccc2CN(Cc12)N=C1NCCN1
Show InChI InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)
Affinity DataKi:  0.140nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50227383(CHEMBL556758)
Show SMILES Cl.CN1C(Cc2c1cccc2Cl)C1=NCCN1
Show InChI InChI=1S/C12H14ClN3.ClH/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12;/h2-4,11H,5-7H2,1H3,(H,14,15);1H
Affinity DataKi:  0.160nMAssay Description:Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226939(CHEMBL36616)
Show SMILES CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-2-16-11-6-4-3-5-10(11)9-12(16)13-14-7-8-15-13/h3-6,12H,2,7-9H2,1H3,(H,14,15)
Affinity DataKi:  0.240nMAssay Description:Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81811(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
Affinity DataKi:  0.260nMMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81806(2-(4,5-dihydro-1h-imidazol-2-yl)-2,3-dihydro-1-(2-...)
Show SMILES C=CCn1c(cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H15N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,10H,1,7-9H2,(H,15,16)
Affinity DataKi:  0.270nMMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50020192(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
Affinity DataKi:  0.290nMMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50020192(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
Affinity DataKi:  0.340nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228318(CHEMBL279807)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m1/s1
Affinity DataKi:  0.355nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228318(CHEMBL279807)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m1/s1
Affinity DataKi:  0.355nMAssay Description:In vitro inhibition of rat liver dihydrofolate reductase.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50019492((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
Affinity DataKi:  0.360nMAssay Description:Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.400nMAssay Description:Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50227384(CHEMBL172132)
Show SMILES CCN1C(Cc2c1cccc2Cl)C1=NCCN1
Show InChI InChI=1S/C13H16ClN3/c1-2-17-11-5-3-4-10(14)9(11)8-12(17)13-15-6-7-16-13/h3-5,12H,2,6-8H2,1H3,(H,15,16)
Affinity DataKi:  0.420nMAssay Description:Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50469638(NAPITANE)
Show SMILES C([C@@H]1CCCc2c3OCOc3ccc12)N1CC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2/t17-,18-/m0/s1
Affinity DataKi:  0.428nMAssay Description:In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscineMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50013515((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226938(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
Affinity DataKi:  0.450nMAssay Description:Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50013515((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229080(CHEMBL349665)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C23H28N2O3S/c1-28-19-8-10-20(11-9-19)29(26,27)25-13-4-6-18-16-24-14-12-17-5-2-3-7-21(17)23(24)15-22(18)25/h2-3,5,7-11,18,22-23H,4,6,12-16H2,1H3/t18-,22+,23+/m1/s1
Affinity DataKi:  0.457nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226949(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16)
Affinity DataKi:  0.470nMAssay Description:Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81815(CAS_196343 | L-654,284 | NSC_196343)
Show SMILES CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33(50-38(57)26-46(66)20-10-6-11-21-46)41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(27-65)44(62)51-32(40(49)58)15-9-12-22-47/h5,7-8,13-14,16-19,27-28,32-36,39,66H,4,6,9-12,15,20-26,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)
Affinity DataKi:  0.480nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50469636(CHEMBL25014)
Show SMILES C([C@@H]1CCCc2c3OCOc3ccc12)N1CC[C@H](C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2/t17-,18+/m1/s1
Affinity DataKi:  0.5nMAssay Description:In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscineMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226801(CHEMBL7707)
Show SMILES Oc1ccc2[C@@H](CCCc2c1O)C1=NCCN1
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m1/s1
Affinity DataKi:  0.550nMAssay Description:Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50122243(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
Affinity DataKi:  0.560nMAssay Description:Inhibitory concentration against alphaV-beta3 integrin using vitronectin ELISA assay.More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81803(CAS_125992 | NSC_125992 | RX 811033)
Show SMILES CCOC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O3/c1-2-17-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,14,15)
Affinity DataKi:  0.580nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229162(CHEMBL349747)
Show SMILES COCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O4S/c1-25-10-11-27(23,24)22-8-3-4-16-14-21-9-7-15-12-17(26-2)5-6-18(15)20(21)13-19(16)22/h5-6,12,16,19-20H,3-4,7-11,13-14H2,1-2H3/t16-,19+,20+/m1/s1
Affinity DataKi:  0.603nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229147(CHEMBL348793)
Show SMILES CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5OCOc5cc4[C@@H]3C[C@@H]12
Show InChI InChI=1S/C18H24N2O4S/c1-25(21,22)20-5-2-3-13-10-19-6-4-12-7-17-18(24-11-23-17)8-14(12)16(19)9-15(13)20/h7-8,13,15-16H,2-6,9-11H2,1H3/t13-,15-,16+/m1/s1
Affinity DataKi:  0.646nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229143(CHEMBL162971)
Show SMILES CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5OCOc5cc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C18H24N2O4S/c1-25(21,22)20-5-2-3-13-10-19-6-4-12-7-17-18(24-11-23-17)8-14(12)16(19)9-15(13)20/h7-8,13,15-16H,2-6,9-11H2,1H3/t13-,15+,16+/m1/s1
Affinity DataKi:  0.661nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228316(CHEMBL62912)
Show SMILES COc1ccc2C3CC4C(CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3
Affinity DataKi:  0.661nMAssay Description:In vitro inhibition of Escherichia coli dihydrofolate reductase.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229179(Delequamine)
Show SMILES COc1ccc2[C@@H]3C[C@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17+,18+/m1/s1
Affinity DataKi:  0.661nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81807(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
Affinity DataKi:  0.680nMMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM81809(BE-2254 | CAS_34772 | NSC_34772)
Show SMILES Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C19H21NO2/c21-17-9-5-14(6-10-17)11-12-20-13-16-8-7-15-3-1-2-4-18(15)19(16)22/h1-6,9-10,16,20-21H,7-8,11-13H2
Affinity DataKi:  0.680nMMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226938(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
Affinity DataKi:  0.690nMAssay Description:Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229152(CHEMBL349004)
Show SMILES Cc1ccc2[C@@H]3C[C@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O2S/c1-13-5-6-16-14(10-13)7-9-19-12-15-4-3-8-20(23(2,21)22)17(15)11-18(16)19/h5-6,10,15,17-18H,3-4,7-9,11-12H2,1-2H3/t15-,17+,18+/m1/s1
Affinity DataKi:  0.708nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50469635(Napitane)
Show SMILES C(C1CCCc2c3OCOc3ccc12)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2
Affinity DataKi:  0.708nMAssay Description:In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscineMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226962(CHEMBL41224)
Show SMILES CN1C(Cc2cccc(Cl)c12)C1=NCCN1
Show InChI InChI=1S/C12H14ClN3/c1-16-10(12-14-5-6-15-12)7-8-3-2-4-9(13)11(8)16/h2-4,10H,5-7H2,1H3,(H,14,15)
Affinity DataKi:  0.720nMAssay Description:Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50473523(CHEMBL167578)
Show SMILES C1C([C@H]2CN=CN2)C11Cc2ccccc2C1
Show InChI InChI=1S/C14H16N2/c1-2-4-11-6-14(5-10(11)3-1)7-12(14)13-8-15-9-16-13/h1-4,9,12-13H,5-8H2,(H,15,16)/t12?,13-/m1/s1
Affinity DataKi:  0.794nMAssay Description:In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligandMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50019492((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226939(CHEMBL36616)
Show SMILES CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-2-16-11-6-4-3-5-10(11)9-12(16)13-14-7-8-15-13/h3-6,12H,2,7-9H2,1H3,(H,14,15)
Affinity DataKi:  0.910nMAssay Description:Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50019855(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1
Show InChI InChI=1S/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
Affinity DataKi:  0.910nMAssay Description:Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50226961(CHEMBL38788)
Show SMILES CCCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
Affinity DataKi:  0.960nMAssay Description:Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50013515((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50019855(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1
Show InChI InChI=1S/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50013515((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229074(CHEMBL163570)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(=O)(=O)CCl)CN3CCc2c1
Show InChI InChI=1S/C18H25ClN2O3S/c1-24-15-4-5-16-13(9-15)6-8-20-11-14-3-2-7-21(25(22,23)12-19)17(14)10-18(16)20/h4-5,9,14,17-18H,2-3,6-8,10-12H2,1H3/t14-,17-,18+/m1/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229155(CHEMBL164420)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(=O)(=O)N(C)C)CN3CCc2c1
Show InChI InChI=1S/C19H29N3O3S/c1-20(2)26(23,24)22-9-4-5-15-13-21-10-8-14-11-16(25-3)6-7-17(14)19(21)12-18(15)22/h6-7,11,15,18-19H,4-5,8-10,12-13H2,1-3H3/t15-,18-,19+/m1/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50021195(2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexah...)
Show SMILES CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO
Show InChI InChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3/t13-,16+/m1/s1
Affinity DataKi:  1.10nMAssay Description:Compound was tested for inhibition of human plasma reninMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50469635(Napitane)
Show SMILES C(C1CCCc2c3OCOc3ccc12)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2
Affinity DataKi:  1.20nMAssay Description:In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscineMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50229171(CHEMBL411954)
Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1
Affinity DataKi:  1.30nMAssay Description:Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membraneMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50473526(CHEMBL168201)
Show SMILES C(c1c[nH]cn1)C1=Cc2ccccc2CC1
Show InChI InChI=1S/C14H14N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,7,9-10H,5-6,8H2,(H,15,16)
Affinity DataKi:  1.30nMAssay Description:In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligandMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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