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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50322288'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50322288
PNG
(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 |r|
Show InChI InChI=1S/C33H43N3O5/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39)/t29-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair