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BDBM50499938 CHEMBL3741390

SMILES: [H][C@@]12CCCN1C(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C2=O

InChI Key: InChIKey=DQANXPFOPIEFAD-KZNIJNHCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499938   
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
Accessory gene regulator protein A


(Staphylococcus aureus)		BDBM50499938
PNG
(CHEMBL3741390)
Show SMILES [H][C@@]12CCCN1C(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C2=O |r|
Show InChI InChI=1S/C34H37N5O5/c1-22-30(40)37-27(20-23-12-5-3-6-13-23)31(41)36-26-17-10-9-16-25(26)33(43)39-19-11-18-28(39)34(44)38(2)29(32(42)35-22)21-24-14-7-4-8-15-24/h3-10,12-17,22,27-29H,11,18-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)/t22-,27+,28+,29-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Toyama Prefectural University

Curated by ChEMBL


Assay Description
Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis

J Nat Prod 78: 2827-31 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00540
BindingDB Entry DOI: 10.7270/Q20868BF
More data for this
Ligand-Target Pair