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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 = 'BDBM50034149'   
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))		BDBM50034149
PNG
(CHEMBL17422 | N-(4-Nitro-3-trifluoromethyl-phenyl)...)
Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C30H40F3N3O4/c1-17(2)27(38)35(18-6-9-23(36(39)40)22(16-18)30(31,32)33)25-11-8-20-19-7-10-24-28(3,15-13-26(37)34(24)5)21(19)12-14-29(20,25)4/h6,9,16-17,19-21,24-25H,7-8,10-15H2,1-5H3/t19?,20?,21?,24-,25+,28-,29+/m1/s1
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n/an/a>1.00E+3n/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