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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A5' and Ligand = 'BDBM50457696'   
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 3A5


(Homo sapiens (Human))		BDBM50457696
PNG
(CHEMBL4214486)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP3A5 in human liver microsomes using midazolam as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair