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SMILES: CCOC(=O)CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O

InChI Key: InChIKey=LSBGQFMOAOUMFB-IHSMYKGESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396329   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50396329
PNG
(CHEMBL2172647)
Show SMILES CCOC(=O)CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O |r,c:17,t:15|
Show InChI InChI=1S/C25H35NO5/c1-4-31-22(28)11-14-26-21(27)8-7-20-18-6-5-17-15-16(23(29)30)9-12-24(17,2)19(18)10-13-25(20,26)3/h5,15,18-20H,4,6-14H2,1-3H3,(H,29,30)/t18-,19+,20+,24+,25+/m1/s1
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Similars
Article
PubMed
n/an/a 26.5n/an/an/an/an/an/a



Panjab University

Curated by ChEMBL


Assay Description
Inhibition of human type-2 5-alpha reductase expressed in HEK293 cells using [3H]-androstenedione as substrate after 30 mins by HPLC analysis

Eur J Med Chem 54: 728-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.026
BindingDB Entry DOI: 10.7270/Q26T0NSX
More data for this
Ligand-Target Pair