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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.6
BDBM50451147
Wt: 386.6
BDBM50093907

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

Found 2 hits 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))
BDBM50093907
PNG
((3S,10S,13S)-3-Cyclohexylmethyl-3-hydroxy-10,13-di...)
Show SMILES C[C@]12CCC3C(CCC4C[C@@](O)(CC5CCCCC5)CC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C26H42O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h18-22,28H,3-17H2,1-2H3/t19?,20?,21?,22?,24-,25-,26-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



CHUQ-Pavillon CHUL and Universit£ Laval

Curated by ChEMBL


Assay Description
Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4


J Med Chem 48: 5257-68 (2005)


Article DOI: 10.1021/jm058179h
BindingDB Entry DOI: 10.7270/Q21C1XNS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451147
PNG
(CHEMBL3137857)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@](O)(CC3CCCCC3)CC[C@]12C
Show InChI InChI=1S/C26H42O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h18-22,28H,3-17H2,1-2H3/t19?,20-,21-,22-,24-,25-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 87n/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