BDBM50079900 7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline::7-nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline::CHEMBL112351

SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F

InChI Key InChIKey=AZEWYBRFBDWZGW-UHFFFAOYSA-N

Data  5 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50079900   

TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50079900(7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50079900(7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
Affinity DataKi:  2.30E+3nMAssay Description:Inhibitory activity against human PNMTMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50079900(7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
Affinity DataKi:  3.40E+3nMAssay Description:Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligandMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50079900(7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
Affinity DataKi:  1.35E+5nMAssay Description:Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
LigandPNGBDBM50079900(7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
Affinity DataKi:  1.50E+6nMAssay Description:Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptorMore data for this Ligand-Target Pair