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SMILES: FC(F)(F)C(=O)Nc1nnc(s1)N1CCN(CC1)c1cccc(Cl)c1

InChI Key: InChIKey=LUKZLRGMLUVCRH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331845   
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
Endochitinase A1


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM50331845
PNG
(CHEMBL1289669 | N-(5-(4-(3-chlorophenyl)piperazin-...)
Show SMILES FC(F)(F)C(=O)Nc1nnc(s1)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H13ClF3N5OS/c15-9-2-1-3-10(8-9)22-4-6-23(7-5-22)13-21-20-12(25-13)19-11(24)14(16,17)18/h1-3,8H,4-7H2,(H,19,20,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins

Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair