BDBM50185253 CHEMBL206345::GBR 13036

SMILES: C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2C=Cc2ccccc12

InChI Key: InChIKey=RQORBEVMVRZOCV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50185253   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50185253 (CHEMBL206345 | GBR 13036) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2C=Cc2ccccc12 |c:21| Show InChI InChI=1S/C24H28NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-12,19-21,24H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in Escherichia coli JM109				J Med Chem 49: 2417-30 (2006) Article DOI: 10.1021/jm0508538 BindingDB Entry DOI: 10.7270/Q2930TZX
					More data for this Ligand-Target Pair