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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50029240'   
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))
BDBM50029240
PNG
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3|
Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1
PDB
MMDB

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Similars

PubMed
n/an/a 3.85E+3n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair