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BDBM236513 Androst-4-ene-3β-ol-6,17-dione (7)

SMILES: C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O

InChI Key: InChIKey=ARAPFCZLRWLJAA-LZBOESDWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236513   
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
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))		BDBM236513
PNG
(Androst-4-ene-3β-ol-6,17-dione (7))
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:9|
Show InChI InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,11-14,20H,3-8,10H2,1-2H3/t11-,12-,13-,14-,18+,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.22E+5n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...

J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair