BDBM50137624 5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-methoxy-benzamide::CHEMBL64261

SMILES: COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC

InChI Key: InChIKey=KSANSFZVRVSECI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50137624   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137624 (5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	488	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))	BDBM50137624 (5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.57E+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 non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137624 (5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.48E+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
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50137624 (5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC Show InChI InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.48E+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