Compile Data Set for Download or QSAR
Found 22 Enz. Inhib. hit(s) with all data for entry = 50016752
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173162(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  3.80nMAssay Description:Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM31046(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
Affinity DataKi:  4.10nMAssay Description:Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173165(CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...)
Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
Affinity DataKi:  4.20nMAssay Description:Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173163(3-[N'-(4,5-Dihydro-oxazol-2-yl)-N-p-tolyl-hydrazin...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1
Show InChI InChI=1S/C16H17N3O2/c1-12-5-7-13(8-6-12)19(18-16-17-9-10-21-16)14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,17,18)
Affinity DataKi:  4.70nMAssay Description:Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173163(3-[N'-(4,5-Dihydro-oxazol-2-yl)-N-p-tolyl-hydrazin...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1
Show InChI InChI=1S/C16H17N3O2/c1-12-5-7-13(8-6-12)19(18-16-17-9-10-21-16)14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,17,18)
Affinity DataKi:  5.30nMAssay Description:Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173165(CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...)
Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
Affinity DataKi:  5.30nMAssay Description:Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173162(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  6.30nMAssay Description:Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173162(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  7.30nMAssay Description:Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173164(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
Affinity DataKi:  13nMAssay Description:Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173164(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
Affinity DataKi:  18nMAssay Description:Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173162(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  18nMAssay Description:Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM31046(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
Affinity DataKi:  19nMAssay Description:Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173162(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  20nMAssay Description:Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173164(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
Affinity DataKi:  24nMAssay Description:Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173164(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
Affinity DataKi:  27nMAssay Description:Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM31046(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
Affinity DataKi:  47nMAssay Description:Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM31046(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
Affinity DataKi:  48nMAssay Description:Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173164(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
Affinity DataKi:  50nMAssay Description:Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM31046(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
Affinity DataKi:  56nMAssay Description:Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM31046(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
Affinity DataKi:  80nMAssay Description:Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173162(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  103nMAssay Description:Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50173164(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
Affinity DataKi:  843nMAssay Description:Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cellsMore data for this Ligand-Target Pair