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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 = 'BDBM31677'   
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))		BDBM31677
PNG
(imidazole-dioxolane, 29)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C#N)O2)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3/c24-20-5-1-18(2-6-20)9-10-23(16-27-12-11-26-17-27)29-15-22(30-23)14-28-21-7-3-19(13-25)4-8-21/h1-8,11-12,17,22H,9-10,14-16H2/t22-,23-/m1/s1
UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.90E+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