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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.5
BDBM50451148

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451148
PNG
(CHEMBL3137845)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@](O)(CCc3ccccc3)CC[C@]12C
Show InChI InChI=1S/C27H38O2/c1-25-16-17-27(29,15-12-19-6-4-3-5-7-19)18-20(25)8-9-21-22-10-11-24(28)26(22,2)14-13-23(21)25/h3-7,20-23,29H,8-18H2,1-2H3/t20?,21-,22-,23-,25-,26-,27+/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 99n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair