BindingDB logo
myBDB logout

null

SMILES: COc1cccc(CSc2nnc(NC(C)=O)s2)c1

InChI Key: InChIKey=KOPLZCONAQDVKH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331842   
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))		BDBM50331842
PNG
(CHEMBL173915 | N-(5-(3-methoxybenzylthio)-1,3,4-th...)
Show SMILES COc1cccc(CSc2nnc(NC(C)=O)s2)c1
Show InChI InChI=1S/C12H13N3O2S2/c1-8(16)13-11-14-15-12(19-11)18-7-9-4-3-5-10(6-9)17-2/h3-6H,7H2,1-2H3,(H,13,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
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