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BDBM92381 Biotin triazole, 12

SMILES: O=C1NC2CS[C@@H](CCCCCc3cn(CCCCOc4cccc5ccccc45)nn3)C2N1

InChI Key: InChIKey=VOARGEKOEJKJMZ-JYNIAERNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92381   
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
Biotin ligase


(Staphylococcus aureus)		BDBM92381
PNG
(Biotin triazole, 12)
Show SMILES O=C1NC2CS[C@@H](CCCCCc3cn(CCCCOc4cccc5ccccc45)nn3)C2N1 |r|
Show InChI InChI=1S/C26H33N5O2S/c32-26-27-22-18-34-24(25(22)28-26)14-3-1-2-11-20-17-31(30-29-20)15-6-7-16-33-23-13-8-10-19-9-4-5-12-21(19)23/h4-5,8-10,12-13,17,22,24-25H,1-3,6-7,11,14-16,18H2,(H2,27,28,32)/t22?,24-,25?/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

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GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Adelaide



Assay Description
In vitro enzyme inhibition using biotin protein ligase.

J Biol Chem 287: 17823-32 (2012)


Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V
More data for this
Ligand-Target Pair