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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steroid 5-alpha-reductase' and Ligand = 'BDBM50039306'   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039306
PNG
((1S,9aR,11aS)-6-Bromo-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H35BrN2O2/c1-5-26(6-2)21(28)17-8-7-15-14-13-25-20-19(24)18(27)10-12-23(20,4)16(14)9-11-22(15,17)3/h14-17,19H,5-13H2,1-4H3/t14?,15?,16?,17-,19?,22+,23-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair