BDBM50088400 2-(3,4-Dimethoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL70095

SMILES COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C

InChI Key InChIKey=AVHKKQNVOUECLU-UHFFFAOYSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50088400   

TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50088400(2-(3,4-Dimethoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-...)
Show SMILES COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C33H38N4O7/c1-21(2)44-28-8-6-5-7-27(28)36-15-13-35(14-16-36)20-24(38)19-34-31(39)22-9-11-25-26(17-22)33(41)37(32(25)40)23-10-12-29(42-3)30(18-23)43-4/h5-12,17-18,21,24,38H,13-16,19-20H2,1-4H3,(H,34,39)
Affinity DataKi:  0.980nMAssay Description:Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligandMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50088400(2-(3,4-Dimethoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-...)
Show SMILES COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C33H38N4O7/c1-21(2)44-28-8-6-5-7-27(28)36-15-13-35(14-16-36)20-24(38)19-34-31(39)22-9-11-25-26(17-22)33(41)37(32(25)40)23-10-12-29(42-3)30(18-23)43-4/h5-12,17-18,21,24,38H,13-16,19-20H2,1-4H3,(H,34,39)
Affinity DataKi:  56nMAssay Description:Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligandMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50088400(2-(3,4-Dimethoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-...)
Show SMILES COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C33H38N4O7/c1-21(2)44-28-8-6-5-7-27(28)36-15-13-35(14-16-36)20-24(38)19-34-31(39)22-9-11-25-26(17-22)33(41)37(32(25)40)23-10-12-29(42-3)30(18-23)43-4/h5-12,17-18,21,24,38H,13-16,19-20H2,1-4H3,(H,34,39)
Affinity DataKi: >2.00E+3nMAssay Description:Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligandMore data for this Ligand-Target Pair