BDBM50185254 BS 7581::CHEMBL444541

SMILES: CC(Cc1ccccc1)NC1CC2c3c1cccc3CCc1ccccc21

InChI Key: InChIKey=RRTCXBIEBRBQPJ-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 = 50185254   

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))	BDBM50185254 (BS 7581 | CHEMBL444541) Show SMILES CC(Cc1ccccc1)NC1CC2c3c1cccc3CCc1ccccc21 Show InChI InChI=1S/C26H27N/c1-18(16-19-8-3-2-4-9-19)27-25-17-24-22-12-6-5-10-20(22)14-15-21-11-7-13-23(25)26(21)24/h2-13,18,24-25,27H,14-17H2,1H3/q+2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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