BDBM50077541 ((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol::CHEMBL293700::[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL

SMILES OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O

InChI Key InChIKey=RNUCRXHRBPLYTA-SECBINFHSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50077541   

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

Curated by ChEMBL
LigandPNGBDBM50077541(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)
Show SMILES OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
Affinity DataKi:  240nMAssay Description:Inhibition of bovine adrenal Phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50077541(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)
Show SMILES OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
Affinity DataKi:  240nMAssay Description:In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50077541(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)
Show SMILES OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
Affinity DataKi:  1.33E+3nMAssay Description:Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
LigandPNGBDBM50077541(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)
Show SMILES OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptorMore data for this Ligand-Target Pair