BDBM50216056 (N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-2-(2-fluoro-ethoxy)-3-methoxy-5-iodo-benzamide::CHEMBL227071

SMILES: COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC

InChI Key: InChIKey=RBJDJJAQQGIHMG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50216056   

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
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50216056 ((N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC Show InChI InChI=1S/C25H32FIN2O5/c1-31-21-12-17-6-10-29(16-18(17)13-22(21)32-2)9-5-4-8-28-25(30)20-14-19(27)15-23(33-3)24(20)34-11-7-26/h12-15H,4-11,16H2,1-3H3,(H,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	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
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50216056 ((N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC Show InChI InChI=1S/C25H32FIN2O5/c1-31-21-12-17-6-10-29(16-18(17)13-22(21)32-2)9-5-4-8-28-25(30)20-14-19(27)15-23(33-3)24(20)34-11-7-26/h12-15H,4-11,16H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+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 [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins				J Med Chem 50: 3194-204 (2007) Article DOI: 10.1021/jm0614883 BindingDB Entry DOI: 10.7270/Q23T9GX4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50216056 ((N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC Show InChI InChI=1S/C25H32FIN2O5/c1-31-21-12-17-6-10-29(16-18(17)13-22(21)32-2)9-5-4-8-28-25(30)20-14-19(27)15-23(33-3)24(20)34-11-7-26/h12-15H,4-11,16H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+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
					More data for this Ligand-Target Pair