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SMILES: CNC1=CC(=O)C2=C(C1=O)[C@@]13CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]3(C)C2

InChI Key: InChIKey=MRIKLIOUFBLIMW-ZTVIYSTHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500219   
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
Sortase family protein


(Staphylococcus aureus)		BDBM50500219
PNG
(CHEMBL3746295)
Show SMILES CNC1=CC(=O)C2=C(C1=O)[C@@]13CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]3(C)C2 |r,c:6,t:2|
Show InChI InChI=1S/C22H29NO2/c1-13-7-6-9-22-18-15(17(24)11-16(23-5)19(18)25)12-21(22,4)14(2)8-10-20(13,22)3/h11,14,23H,1,6-10,12H2,2-5H3/t14-,20-,21+,22-/m0/s1
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MMDB

KEGG

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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.77E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 6538p sortase A expressed in Escherichia coli using dabcyl-QALPETGEE-edans as substrate incubated for 1 hr b...

J Nat Prod 78: 2814-21 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00867
BindingDB Entry DOI: 10.7270/Q23T9M7T
More data for this
Ligand-Target Pair