BDBM50371828 CHEMBL272533

SMILES: COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC

InChI Key: InChIKey=VWXSFQRIRPPNDO-WBVHZDCISA-N

Data: 3 IC50

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 = 50371828   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371828 (CHEMBL272533) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC Show InChI InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371828 (CHEMBL272533) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC Show InChI InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371828 (CHEMBL272533) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC Show InChI InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	927	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair