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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 = 'BDBM50315994'   
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))		BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair