BindingDB logo
myBDB logout

BDBM92385 Biotin triazole, 16

SMILES: Cc1ccc2oc(=O)n(CCCn3cc(COCCC[C@@H]4SCC5NC(=O)NC45)nn3)c2c1

InChI Key: InChIKey=KYTKGLWBLOSDRN-AJPWXKBRSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92385   
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)		BDBM92385
PNG
(Biotin triazole, 16)
Show SMILES Cc1ccc2oc(=O)n(CCCn3cc(COCCC[C@@H]4SCC5NC(=O)NC45)nn3)c2c1 |r|
Show InChI InChI=1S/C22H28N6O4S/c1-14-5-6-18-17(10-14)28(22(30)32-18)8-3-7-27-11-15(25-26-27)12-31-9-2-4-19-20-16(13-33-19)23-21(29)24-20/h5-6,10-11,16,19-20H,2-4,7-9,12-13H2,1H3,(H2,23,24,29)/t16?,19-,20?/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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