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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A43' AND taxid = 9606   
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 3A43


(Homo sapiens (Human))
BDBM50252659
PNG
((S)-N-(1-(3-bromo-4-(piperidin-4-yloxy)benzyl)pyrr...)
Show SMILES Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair
Cytochrome P450 3A43


(Homo sapiens (Human))
BDBM562067
PNG
(US11396516, Example 2)
Show SMILES CC(C)(C)OC(=O)NCCCOc1c2ccoc2cc2oc(=O)ccc12
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.30E+3n/an/an/an/an/an/a


TBA

Assay Description
The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maxi...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FT8Q87
More data for this
Ligand-Target Pair