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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Monomerid = 50329302   
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 2C9


(Homo sapiens (human))
BDBM50329302
PNG
((R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carbo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)29-18(26)23-15-4-5-24(11-15)19(27)28-16-13-6-12-7-14(16)10-21(8-12,9-13)17(22)25/h12-16H,4-11H2,1-3H3,(H2,22,25)(H,23,26)/t12?,13?,14?,15-,16-,21-/m1/s1
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair