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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RmtA' and Ligand = 'BDBM50376155'   
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)		BDBM50376155
PNG
(CHEMBL265209)
Show SMILES Oc1c(Br)cc(NC(=O)c2cccc(c2)C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Br
Show InChI InChI=1S/C20H12Br4N2O4/c21-13-5-11(6-14(22)17(13)27)25-19(29)9-2-1-3-10(4-9)20(30)26-12-7-15(23)18(28)16(24)8-12/h1-8,27-28H,(H,25,29)(H,26,30)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans RmtA

J Med Chem 51: 2279-90 (2008)


Article DOI: 10.1021/jm701595q
BindingDB Entry DOI: 10.7270/Q28C9X48
More data for this
Ligand-Target Pair