Compile Data Set for Download or QSAR
Found 17 of ki for UniProtKB: P19328
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
Affinity DataKi:  1.90nMAssay Description:Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
Affinity DataKi:  4.80nMAssay Description:Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
LigandPNGBDBM50001922(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
Affinity DataKi:  5.70nMAssay Description:Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
LigandPNGBDBM96559(2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-...)
Show SMILES C1CN=C(N1)C1CCCc2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
LigandPNGBDBM50222199(CHEMBL157948)
Show SMILES Oc1cc(Br)c(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H16BrNO4/c17-11-7-16(22)14(20)5-9(11)3-12-10-6-15(21)13(19)4-8(10)1-2-18-12/h4-7,12,18-22H,1-3H2
Affinity DataKi:  500nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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:  4.50E+3nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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:  5.00E+3nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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:  5.00E+3nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50222196(CHEBI:46816 | CHEMBL155707)
Show SMILES COc1ccc(CC2NCCc3cc(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
Affinity DataKi:  7.50E+3nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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:  7.50E+3nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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:  1.00E+4nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50222198(CHEBI:28658 | CHEMBL160579)
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-/m1/s1
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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+4nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50027326((1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroiso...)
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-/m1/s1
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
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:  4.00E+4nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50222134(CHEMBL160143)
Show SMILES COc1cc(CC2(NCCc3cc(O)c(O)cc23)C(O)=O)ccc1O
Show InChI InChI=1S/C18H19NO6/c1-25-16-6-10(2-3-13(16)20)9-18(17(23)24)12-8-15(22)14(21)7-11(12)4-5-19-18/h2-3,6-8,19-22H,4-5,9H2,1H3,(H,23,24)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50222200(CHEMBL160310)
Show SMILES OC(=O)C1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C17H17NO6/c19-12-2-1-9(5-13(12)20)8-17(16(23)24)11-7-15(22)14(21)6-10(11)3-4-18-17/h1-2,5-7,18-22H,3-4,8H2,(H,23,24)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranesMore data for this Ligand-Target Pair