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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50364650   
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 3A4


(Homo sapiens (Human))
BDBM50364650
PNG
(CHEMBL1951347)
Show SMILES CCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(c4)C(=O)NC(C)C)cc3)c12
Show InChI InChI=1S/C25H26N6O2/c1-4-16-13-26-23-21(16)22(27-14-28-23)17-8-10-19(11-9-17)30-25(33)31-20-7-5-6-18(12-20)24(32)29-15(2)3/h5-15H,4H2,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
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Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis


Bioorg Med Chem Lett 22: 1611-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A5


(Homo sapiens (Human))
BDBM50364650
PNG
(CHEMBL1951347)
Show SMILES CCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(c4)C(=O)NC(C)C)cc3)c12
Show InChI InChI=1S/C25H26N6O2/c1-4-16-13-26-23-21(16)22(27-14-28-23)17-8-10-19(11-9-17)30-25(33)31-20-7-5-6-18(12-20)24(32)29-15(2)3/h5-15H,4H2,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis


Bioorg Med Chem Lett 22: 1611-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ
More data for this
Ligand-Target Pair