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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A1' and Ligand = 'BDBM31665'   
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))		BDBM31665
PNG
(imidazole-dioxolane, 17)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 |r|
Show InChI InChI=1S/C26H25ClN2O2S/c27-23-8-5-20(6-9-23)11-12-26(18-29-14-13-28-19-29)30-16-24(31-26)17-32-25-10-7-21-3-1-2-4-22(21)15-25/h1-10,13-15,19,24H,11-12,16-18H2/t24-,26+/m0/s1
UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80E+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