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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50166630   
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))		BDBM50166630
PNG
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.34E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate

Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair