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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50206955'   
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
Aromatase


(Homo sapiens (Human))
BDBM50206955
PNG
(CHEMBL3923127)
Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Merck USA

Curated by ChEMBL


Assay Description
Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme...


Bioorg Med Chem Lett 27: 143-146 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0
More data for this
Ligand-Target Pair