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BDBM50245704 4-aza-A-homo-3-oxo-ursolic acid::CHEMBL454421

SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O

InChI Key: InChIKey=YRCGVDWNLBAYIE-TUEWXXKDNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245704   
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))
BDBM50245704
PNG
(4-aza-A-homo-3-oxo-ursolic acid | CHEMBL454421)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1/C30H47NO3/c1-18-10-15-30(25(33)34)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32)31-26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,31,32)(H,33,34)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/s2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul (UFRGS)

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1beta, 3H]androstenedione as substrate...


Eur J Med Chem 43: 1865-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.021
BindingDB Entry DOI: 10.7270/Q2ZW1KPN
More data for this
Ligand-Target Pair