BindingDB PrimarySearch

BDBM50137628 CHEMBL1830682::CHEMBL60048::N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2-methoxy-5-methylbenzamide::N-[4-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-2-methoxy-5-methyl-benzamide::[3H]-N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2-methoxy-5-methylbenzamide

SMILES: COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1

InChI Key: InChIKey=KOEMMHBJOHMMBF-UHFFFAOYSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50137628
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical University Curated by ChEMBL					Assay Description Binding affinity to sigma-2 receptor (unknown origin)				Eur J Med Chem 147: 227-237 (2018) Article DOI: 10.1016/j.ejmech.2017.11.016 BindingDB Entry DOI: 10.7270/Q2SQ92XB
Guangdong Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.				Bioorg Med Chem Lett 14: 195-202 (2003) BindingDB Entry DOI: 10.7270/Q2CV4H45
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	642	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity at dopamine receptor D2 on Sf9 cells by [125I]-IABN displacement.				Bioorg Med Chem Lett 14: 195-202 (2003) BindingDB Entry DOI: 10.7270/Q2CV4H45
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical University Curated by ChEMBL					Assay Description Binding affinity to sigma-1 receptor (unknown origin)				Eur J Med Chem 147: 227-237 (2018) Article DOI: 10.1016/j.ejmech.2017.11.016 BindingDB Entry DOI: 10.7270/Q2SQ92XB
Guangdong Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell me...				J Med Chem 57: 4239-51 (2014) Article DOI: 10.1021/jm5001453 BindingDB Entry DOI: 10.7270/Q20P11KX
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137628 (CHEMBL1830682 \| CHEMBL60048 \| N-(4-(6,7-dimethoxy-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to Sigma opioid receptor of guiena pig brain membrane				Bioorg Med Chem Lett 14: 195-202 (2003) BindingDB Entry DOI: 10.7270/Q2CV4H45
					More data for this Ligand-Target Pair