BindingDB logo
myBDB logout

BDBM50123019 CHEMBL3621226

SMILES: [H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@](C)([C@H]2CC#N)C(C)=O

InChI Key: InChIKey=CYMCSBBSMDIQEI-FTTVAEOONA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123019   
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))
BDBM50123019
PNG
(CHEMBL3621226)
Show SMILES CC(=O)[C@@]1(C)CC[C@H]2[C@@H](C=CC3=CC(=O)CC[C@]23C)[C@@H]1CC#N
Show InChI InChI=1/C20H25NO2/c1-13(22)19(2)10-7-17-16(18(19)8-11-21)5-4-14-12-15(23)6-9-20(14,17)3/h4-5,12,16-18H,6-10H2,1-3H3/t16-,17+,18+,19-,20+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair