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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 1' and Ligand = 'BDBM50031900'   
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))		BDBM50031900
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F |t:27|
Show InChI InChI=1S/C36H43F3N2O2/c1-33(2,3)22-8-6-21(7-9-22)25-11-10-23(36(37,38)39)18-30(25)41-32(43)29-13-12-27-26-20-40-31-19-24(42)14-16-35(31,5)28(26)15-17-34(27,29)4/h6-11,18,26-29H,12-17,19-20H2,1-5H3,(H,41,43)/t26?,27?,28?,29-,34+,35-/m1/s1
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Similars
PubMed
 1.10E+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)


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