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Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1' and Ligand = 'BDBM50034148'   
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))		BDBM50034148
PNG
(CHEMBL17473 | N-(4-Nitro-phenyl)-N-((4aR,6aS,7S,11...)
Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H41N3O4/c1-18(2)27(34)31(19-6-8-20(9-7-19)32(35)36)25-13-11-22-21-10-12-24-28(3,17-15-26(33)30(24)5)23(21)14-16-29(22,25)4/h6-9,18,21-25H,10-17H2,1-5H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1
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n/an/a 33n/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