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BDBM50357543 CHEMBL1915161

SMILES: COC(=O)[C@@H]1Cc2c(CN1CC1CC1)[nH]c1ccccc21

InChI Key: InChIKey=NNTYPSPSESLDDC-INIZCTEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357543   
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 19A1


(Homo sapiens (Human))
BDBM50357543
PNG
(CHEMBL1915161)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1CC1CC1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H20N2O2/c1-21-17(20)16-8-13-12-4-2-3-5-14(12)18-15(13)10-19(16)9-11-6-7-11/h2-5,11,16,18H,6-10H2,1H3/t16-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.86E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair