Compile Data Set for Download or QSAR
Found 70 Enz. Inhib. hit(s) with all data for entry = 50027198
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263671(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
Affinity DataKi:  0.5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  0.600nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263621(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
Affinity DataKi:  0.800nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  0.800nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  0.900nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  1.70nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263621(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
Affinity DataKi:  1.90nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  1.90nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  1.90nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263724(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
Affinity DataKi:  2.5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263620(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
Affinity DataKi:  3nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  3.80nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  4.80nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263619(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
Affinity DataKi:  5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  5.20nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263724(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
Affinity DataKi:  6.80nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263620(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
Affinity DataKi:  8nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263775((R)-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)...)
Show SMILES O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m1/s1
Affinity DataKi:  9.20nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  11nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  11nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  13nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  14nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  14nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  15nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  15nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263674(CHEMBL476774 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
Show InChI InChI=1S/C22H28N4O3/c27-22(18-5-3-8-23-15-18)24-9-12-25-10-4-11-26(14-13-25)16-19-17-28-20-6-1-2-7-21(20)29-19/h1-3,5-8,15,19H,4,9-14,16-17H2,(H,24,27)
Affinity DataKi:  16nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263618(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
Affinity DataKi:  17nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263674(CHEMBL476774 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
Show InChI InChI=1S/C22H28N4O3/c27-22(18-5-3-8-23-15-18)24-9-12-25-10-4-11-26(14-13-25)16-19-17-28-20-6-1-2-7-21(20)29-19/h1-3,5-8,15,19H,4,9-14,16-17H2,(H,24,27)
Affinity DataKi:  18nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50159018(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
Affinity DataKi:  20nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50159018(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
Affinity DataKi:  21nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263618(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
Affinity DataKi:  23nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263619(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
Affinity DataKi:  25nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263620(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
Affinity DataKi:  27nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263621(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
Affinity DataKi:  28nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263671(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
Affinity DataKi:  28nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  31nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263671(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
Affinity DataKi:  31nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263618(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
Affinity DataKi:  33nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263621(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
Affinity DataKi:  36nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  45nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  48nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263619(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
Affinity DataKi:  49nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263724(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
Affinity DataKi:  66nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263724(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
Affinity DataKi:  70nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50159018(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
Affinity DataKi:  73nMAssay Description:Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  74nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  81nMAssay Description:Binding affinity at human recombinant adrenergic alpha2A receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  94nMAssay Description:Binding affinity at human recombinant adrenergic alpha2A receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263671(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
Affinity DataKi:  103nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  118nMAssay Description:Binding affinity at human recombinant adrenergic alpha2A receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
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