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SMILES: CN1C2CCC1\C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)\C2=C\c1cc(Br)c(O)c(Br)c1

InChI Key: InChIKey=LLXQOUKLZYLJHL-QGVJZHQLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376165   
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
RmtA


(Emericella nidulans)		BDBM50376165
PNG
(CHEMBL258904)
Show SMILES CN1C2CCC1\C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)\C2=C\c1cc(Br)c(O)c(Br)c1 |w:2.2,5.4,TLB:0:1:4.3:6.17.19,7:6:1:4.3,THB:18:17:1:4.3,20:19:1:4.3|
Show InChI InChI=1S/C22H17Br4NO3/c1-27-18-2-3-19(27)13(5-11-8-16(25)22(30)17(26)9-11)20(28)12(18)4-10-6-14(23)21(29)15(24)7-10/h4-9,18-19,29-30H,2-3H2,1H3/b12-4+,13-5+
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.40E+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