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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 = 'BDBM50032795'   
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))
BDBM50032795
PNG
((4aR,6aS)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-1,4...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C27H32N2O2/c1-26-14-11-20-18(7-10-23-27(20,2)15-12-24(30)28-23)19(26)8-9-21(26)25(31)29-16-13-17-5-3-4-6-22(17)29/h3-6,12-13,15-16,18-21,23H,7-11,14H2,1-2H3,(H,28,30)/t18?,19?,20?,21?,23?,26-,27+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Steroid 5-alpha-reductase type 2


J Med Chem 38: 3189-92 (1995)


Article DOI: 10.1021/jm00017a001
BindingDB Entry DOI: 10.7270/Q2G161G8
More data for this
Ligand-Target Pair