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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50101143   
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))		BDBM50101143
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-5'-fluoro-3'-n...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1c(F)cc(cc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H23FN2O6/c1-12(2)23(13(3)4)19(25)11-30-20-17(22)9-16(10-18(20)24(28)29)14-5-7-15(8-6-14)21(26)27/h5-10,12-13H,11H2,1-4H3,(H,26,27)
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PubMed
n/an/a 9.80n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates

Bioorg Med Chem Lett 11: 1713-6 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair