BindingDB PrimarySearch

BDBM50137618 5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-2,3-dimethoxy-benzamide::5-bromo-N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide::CHEMBL291439

SMILES: COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC

InChI Key: InChIKey=UNYNHWPKQAKANT-UHFFFAOYSA-N

Data: 13 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50137618
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 (Rattus norvegicus (Rat))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
Universit£t M£nster Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
Universit£t M£nster Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	627	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 dopamine D3 receptor (unknown origin) by radioligand binding assay				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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	627	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	881	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Bioorg Med Chem Lett 17: 2594-7 (2007) Article DOI: 10.1016/j.bmcl.2007.02.005 BindingDB Entry DOI: 10.7270/Q2N58M15
University of Missouri-Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	881	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
University of Missouri-Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+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 dopamine D2 receptor (unknown origin) by radioligand binding assay				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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20E+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 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-1 receptor (Cavia porcellus (Guinea pig))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
Universit£t M£nster Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+4	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))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting metho...				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
Universit£t M£nster Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.29E+4	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane at pH 8.0 at 25 degC				Bioorg Med Chem Lett 17: 2594-7 (2007) Article DOI: 10.1016/j.bmcl.2007.02.005 BindingDB Entry DOI: 10.7270/Q2N58M15
University of Missouri-Columbia Curated by ChEMBL					More data for this Ligand-Target Pair