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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5α-Reductase 1 (5α-R1)' and Ligand = 'BDBM50031875'   
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
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50031875
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C34H48N2O2/c1-31(2,3)22-8-10-23(11-9-22)34(16-6-7-17-34)36-30(38)28-13-12-26-25-21-35-29-20-24(37)14-18-33(29,5)27(25)15-19-32(26,28)4/h8-11,25-28H,6-7,12-21H2,1-5H3,(H,36,38)/t25?,26?,27?,28-,32+,33-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant steroid 5-alpha-reductase type I


J Med Chem 38: 2621-7 (1995)


Article DOI: 10.1021/jm00014a015
BindingDB Entry DOI: 10.7270/Q2C829XC
More data for this
Ligand-Target Pair