BDBM50351983 CHEMBL1822405

SMILES: COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1O

InChI Key: InChIKey=GGWHRNYEIAGSEC-ZEQRLZLVSA-N

Data: 2 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 2 hits for monomerid = 50351983   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50351983 (CHEMBL1822405) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1O |r| Show InChI InChI=1S/C25H31FN2O3/c1-31-22-8-4-19(5-9-22)25(30)20-10-14-28(15-11-20)23-17-27(13-12-24(23)29)16-18-2-6-21(26)7-3-18/h2-9,20,23-24,29H,10-17H2,1H3/t23-,24-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 A123.7 cells after 20 hrs				J Med Chem 54: 5362-72 (2011) Article DOI: 10.1021/jm200203f BindingDB Entry DOI: 10.7270/Q2QC03VC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50351983 (CHEMBL1822405) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1O |r| Show InChI InChI=1S/C25H31FN2O3/c1-31-22-8-4-19(5-9-22)25(30)20-10-14-28(15-11-20)23-17-27(13-12-24(23)29)16-18-2-6-21(26)7-3-18/h2-9,20,23-24,29H,10-17H2,1H3/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation counting				J Med Chem 54: 5362-72 (2011) Article DOI: 10.1021/jm200203f BindingDB Entry DOI: 10.7270/Q2QC03VC
					More data for this Ligand-Target Pair