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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RmtA' and Ligand = 'BDBM50206440'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
RmtA


(Emericella nidulans)		BDBM50206440
PNG
(({3-[1-{3-[(bis-carboxymethyl-amino-methyl]-4-hydr...)
Show SMILES CC(C)c1cc(C(c2ccccc2S(O)(=O)=O)=c2cc(C(C)C)c(O)c(CN(CC(O)=O)CC(O)=O)c2=C)c(C)c(CN(CC(O)=O)CC(O)=O)c1O |w:6.5|
Show InChI InChI=1S/C37H44N2O13S/c1-19(2)24-11-26(21(5)28(36(24)48)13-38(15-31(40)41)16-32(42)43)35(23-9-7-8-10-30(23)53(50,51)52)27-12-25(20(3)4)37(49)29(22(27)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,5,13-18H2,1-4,6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,50,51,52)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.40E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells

J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
More data for this
Ligand-Target Pair