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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50245649'   
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))		BDBM50245649
PNG
(2-Cyano-2,3-seco-4-yliden-olean-12-enoic acid | CH...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC#N)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H45NO2/c1-19(2)22-12-14-29(7)24(27(22,5)13-8-18-31)10-9-23-25-21(4)20(3)11-15-30(25,26(32)33)17-16-28(23,29)6/h9,20-22,24-25H,1,8,10-17H2,2-7H3,(H,32,33)/t20-,21+,22+,24-,25+,27+,28-,29-,30+/m1/s1
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MMDB

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Similars
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