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Compile Data Set for Download or QSAR

Found 1 hit of Enz. Inhib. data with enzyme = 'Cytochrome P450 3A' and Substrate = 'US9333197, Midazolam'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50134248
PNG
(Alpha-Hydroxy-Midazolam | CHEMBL1188 | US9333197, ...)
Show SMILES OCc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2
PDB
MMDB

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PC sid
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Patents


Similars

n/an/a 2.70E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.26%) are incubated with human liver microsome...


US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair