BDBM50130203 ALLOCRYPTOPINE::Allocryptopine::Allocrytopine::CHEBI:17390

SMILES: COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC

InChI Key: InChIKey=HYBRYAPKQCZIAE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50130203   

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))	BDBM50130203 (ALLOCRYPTOPINE | Allocryptopine | Allocrytopine | ...) Show SMILES COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC Show InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substrate				J Med Chem 58: 8360-72 (2015) BindingDB Entry DOI: 10.7270/Q29Z96QC
					More data for this Ligand-Target Pair