Compile Data Set for Download or QSAR
Found 18 Enz. Inhib. hit(s) with all data for entry = 50004739
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
Affinity DataKi:  3nMAssay Description:Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029108(6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)
Show SMILES Clc1cc2CCNCc2c(Cl)c1Cl
Show InChI InChI=1S/C9H8Cl3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2
Affinity DataKi:  20nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029102(7-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)
Show SMILES Clc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
Affinity DataKi:  29nMAssay Description:Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029107(8-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)
Show SMILES Clc1cccc2CCNCc12
Show InChI InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
Affinity DataKi:  30nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029101(5,6,7,8-Tetrachloro-1,2,3,4-tetrahydro-isoquinolin...)
Show SMILES Clc1c(Cl)c(Cl)c2CNCCc2c1Cl
Show InChI InChI=1S/C9H7Cl4N/c10-6-4-1-2-14-3-5(4)7(11)9(13)8(6)12/h14H,1-3H2
Affinity DataKi:  52nMAssay Description:Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029099(5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)
Show SMILES Clc1cc(Cl)c2CCNCc2c1Cl
Show InChI InChI=1S/C9H8Cl3N/c10-7-3-8(11)9(12)6-4-13-2-1-5(6)7/h3,13H,1-2,4H2
Affinity DataKi:  59nMAssay Description:Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
Affinity DataIC50: 10nMAssay Description:Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029108(6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)
Show SMILES Clc1cc2CCNCc2c(Cl)c1Cl
Show InChI InChI=1S/C9H8Cl3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2
Affinity DataIC50: 100nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029101(5,6,7,8-Tetrachloro-1,2,3,4-tetrahydro-isoquinolin...)
Show SMILES Clc1c(Cl)c(Cl)c2CNCCc2c1Cl
Show InChI InChI=1S/C9H7Cl4N/c10-6-4-1-2-14-3-5(4)7(11)9(13)8(6)12/h14H,1-3H2
Affinity DataIC50: 200nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029107(8-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)
Show SMILES Clc1cccc2CCNCc12
Show InChI InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
Affinity DataIC50: 200nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029102(7-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)
Show SMILES Clc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
Affinity DataIC50: 200nMAssay Description:Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029099(5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)
Show SMILES Clc1cc(Cl)c2CCNCc2c1Cl
Show InChI InChI=1S/C9H8Cl3N/c10-7-3-8(11)9(12)6-4-13-2-1-5(6)7/h3,13H,1-2,4H2
Affinity DataIC50: 300nMAssay Description:Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029106(2,3-Dichloro-benzylamine | CHEMBL13165)
Show SMILES NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2
Affinity DataIC50: 600nMAssay Description:Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM12584((3-chlorophenyl)methanamine | 1-(3-CHLOROPHENYL)ME...)
Show SMILES NCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
Affinity DataIC50: 9.00E+3nMAssay Description:Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029105(2-(3,4,-dichlorophenyl)ethylamine | 2-(3,4-Dichlor...)
Show SMILES NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
Affinity DataIC50: 2.00E+4nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029104(2-Chloro-benzylamine | CHEMBL12712)
Show SMILES NCc1ccccc1Cl
Show InChI InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
Affinity DataIC50: 2.00E+4nMAssay Description:Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029103(2-(3-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL14...)
Show SMILES CC(N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
Affinity DataIC50: 6.00E+4nMAssay Description:In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029100(2-(4-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL35...)
Show SMILES CC(N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
Affinity DataIC50: 3.00E+5nMAssay Description:Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferaseMore data for this Ligand-Target Pair