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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50014311'   
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))
BDBM50014311
PNG
(10-Ethyl-13-methyl-1,6,7,8,9,10,11,12,13,14,15,16-...)
Show SMILES CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:7|
Show InChI InChI=1S/C20H28O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h12,15-17H,3-11H2,1-2H3/t15?,16?,17?,19-,20-/m0/s1
PDB
MMDB

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Similars

PubMed
9n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity was measured on Cytochrome P450 19A1


J Med Chem 33: 2933-42 (1990)


BindingDB Entry DOI: 10.7270/Q2VM4CW9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)