BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A1' and Ligand = 'BDBM31652'   
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 3A1


(Rattus norvegicus (rat))		BDBM31652
PNG
(imidazole-dioxolane, 3)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1 |r|
Show InChI InChI=1S/C22H23ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h1-9,12-13,17,20H,10-11,14-16H2/t20-,22+/m0/s1
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Queen's University



Assay Description
CYP3A1/3A2-catalyzed erythromycin N-demethylase activity was determined by the spectrophotometric measurement of formaldehyde. Briefly, reaction mixt...

Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair