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SMILES: Cc1cc(no1)C(=O)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1

InChI Key: InChIKey=MYAXDFIQUFKCGW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443777   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443777
PNG
(CHEMBL3094127)
Show SMILES Cc1cc(no1)C(=O)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1
Show InChI InChI=1S/C24H31N3O3/c1-17-15-23(25-30-17)24(28)27-13-9-21(10-14-27)29-22-6-5-18-7-11-26(20-3-2-4-20)12-8-19(18)16-22/h5-6,15-16,20-21H,2-4,7-14H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6

Bioorg Med Chem Lett 23: 6897-901 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.089
BindingDB Entry DOI: 10.7270/Q2HM59X6
More data for this
Ligand-Target Pair