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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 2' and Ligand = 'BDBM50034145'   
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
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))
BDBM50034145
PNG
(CHEMBL276355 | N-Cyclopropyl-N-((4aR,6aS,7S,11aR)-...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H36N2O2/c1-22-13-11-21(27)24(3)19(22)8-6-16-17-7-9-20(25(14-26)15-4-5-15)23(17,2)12-10-18(16)22/h14-20H,4-13H2,1-3H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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PubMed
n/an/a>100n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair