Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50011147
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50545275(CHEMBL4645677)
Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39)
Affinity DataIC50: 14nMAssay Description:Inhibition of adrenergic receptor alpha1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50545276(CHEMBL4637801)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc(COc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)cc2)CC1)C#N
Show InChI InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)
Affinity DataIC50: 980nMAssay Description:Inhibition of adrenergic receptor alpha1 (unknown origin)More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50545275(CHEMBL4645677)
Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39)
Affinity DataEC50:  16nMAssay Description:Agonist activity at D2S (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50545276(CHEMBL4637801)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc(COc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)cc2)CC1)C#N
Show InChI InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at D2S (unknown origin)More data for this Ligand-Target Pair