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Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1' and Ligand = 'BDBM50034139'   
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 1


(Homo sapiens (Human))		BDBM50034139
PNG
(CHEMBL16690 | N-Isobutyl-N-((4aR,6aS,7S,11aR)-1,4a...)
Show SMILES CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-16(2)14-26(15-27)21-9-7-18-17-6-8-20-23(3,13-11-22(28)25(20)5)19(17)10-12-24(18,21)4/h15-21H,6-14H2,1-5H3/t17?,18?,19?,20-,21+,23-,24+/m1/s1
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Similars
PubMed
n/an/a 7.30n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells

J Med Chem 38: 1158-73 (1995)


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