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BDBM50451146 CHEMBL3137856

SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@](O)(CCCCCC)CC[C@]12C

InChI Key: InChIKey=SUFKNLCDOHRDMW-VOTDOTPFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451146   
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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451146
PNG
(CHEMBL3137856)
Show SMILES CCCCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C25H42O2/c1-4-5-6-7-13-25(27)16-15-23(2)18(17-25)8-9-19-20-10-11-22(26)24(20,3)14-12-21(19)23/h18-21,27H,4-17H2,1-3H3/t18?,19-,20-,21-,23-,24-,25+/m0/s1
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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



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)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair