BDBM50072991 7-Nitro-1,2,3,4-tetrahydro-isoquinoline::7-nitro-1,2,3,4-tetrahydroisoquinoline::CHEMBL281289

SMILES: [O-][N+](=O)c1ccc2CCNCc2c1

InChI Key: InChIKey=YPRWYZSUBZXORL-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50072991   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Inhibition of bovine PNMT by radiochemical assay				Bioorg Med Chem 16: 542-59 (2008) Article DOI: 10.1016/j.bmc.2007.08.066 BindingDB Entry DOI: 10.7270/Q24B312R
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to human PNMT				Bioorg Med Chem 15: 1298-310 (2007) Article DOI: 10.1016/j.bmc.2006.11.010 BindingDB Entry DOI: 10.7270/Q2HD7V9F
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 42: 118-34 (1999) Article DOI: 10.1021/jm980429p BindingDB Entry DOI: 10.7270/Q2K35VBN
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				Bioorg Med Chem Lett 9: 481-6 (1999) BindingDB Entry DOI: 10.7270/Q26Q20F9
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human free PNMT				J Med Chem 48: 7243-52 (2005) Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand				Bioorg Med Chem Lett 15: 1143-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.013 BindingDB Entry DOI: 10.7270/Q2X63MFG
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50072991 (7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...) Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor				Bioorg Med Chem Lett 9: 481-6 (1999) BindingDB Entry DOI: 10.7270/Q26Q20F9
					More data for this Ligand-Target Pair