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BDBM50311132 17beta-[(N-Decyl)formamido]-4-methyl-4-aza-5alpha-androstan-3-one::CHEMBL1079512

SMILES: CCCCCCCCCCN(C=O)C1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=BHHGCRMRDBRTQS-WFQJRKAESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50311132   
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
3-keto-steroid reductase


(Homo sapiens (Human))
BDBM50311132
PNG
(17beta-[(N-Decyl)formamido]-4-methyl-4-aza-5alpha-...)
Show SMILES CCCCCCCCCCN(C=O)C1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C30H52N2O2/c1-5-6-7-8-9-10-11-12-21-32(22-33)27-16-14-24-23-13-15-26-29(2,20-18-28(34)31(26)4)25(23)17-19-30(24,27)3/h22-27H,5-21H2,1-4H3/t23-,24-,25-,26+,27?,29+,30-/m0/s1
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Similars

Article
PubMed
n/an/a 195n/an/an/an/an/an/a



CHUQ (CHUL) Research Center and Laval University

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs


J Med Chem 52: 7488-502 (2009)


Article DOI: 10.1021/jm900921c
BindingDB Entry DOI: 10.7270/Q2KK9BXD
More data for this
Ligand-Target Pair