Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 147.2 BDBM50014651Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50014651 (2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...) Show SMILES CN1CCc2ccccc2C1 Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)				J Med Chem 33: 147-52 (1990) BindingDB Entry DOI: 10.7270/Q26110X9
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50014651 (2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...) Show SMILES CN1CCc2ccccc2C1 Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.33E+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
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50014651 (2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...) Show SMILES CN1CCc2ccccc2C1 Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.36E+4	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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50014651 (2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...) Show SMILES CN1CCc2ccccc2C1 Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)				J Med Chem 33: 147-52 (1990) BindingDB Entry DOI: 10.7270/Q26110X9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50014651 (2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...) Show SMILES CN1CCc2ccccc2C1 Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle& Co. Curated by ChEMBL					Assay Description Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor				J Med Chem 32: 1242-8 (1989) BindingDB Entry DOI: 10.7270/Q2CR5TXJ
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50014651 (2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...) Show SMILES CN1CCc2ccccc2C1 Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle& Co. Curated by ChEMBL					Assay Description Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine receptor				J Med Chem 32: 1242-8 (1989) BindingDB Entry DOI: 10.7270/Q2CR5TXJ
					More data for this Ligand-Target Pair