Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 5341
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.0290nMMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.0560nMMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.600nMMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50033111(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.660nMMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM85848(CAS_172307 | Fiduxosin | NSC_172307)
Show SMILES COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12
Show InChI InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)
Affinity DataKi:  0.910nMMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50033111(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  1.15nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50033111(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  1.82nMMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM85848(CAS_172307 | Fiduxosin | NSC_172307)
Show SMILES COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12
Show InChI InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)
Affinity DataKi:  25.1nMMore data for this Ligand-Target Pair