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SMILES: COc1cccnc1-c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O

InChI Key: InChIKey=SBEYXWQZXQQAPH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212336   
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
Genome polyprotein


(West Nile virus)		BDBM50212336
PNG
(CHEMBL5282745)
Show SMILES COc1cccnc1-c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O |(12.82,-1.04,;13.08,-2.56,;14.52,-3.11,;15.71,-2.14,;17.17,-2.69,;17.41,-4.22,;16.21,-5.18,;14.76,-4.64,;13.57,-5.61,;13.91,-7.1,;15.42,-7.43,;12.91,-8.36,;13.59,-9.75,;11.44,-8.36,;10.48,-7.17,;9.09,-7.69,;7.94,-6.73,;6.49,-7.27,;8.2,-5.25,;9.6,-4.74,;10.75,-5.7,;12.15,-4.95,;12.12,-3.4,)|
Show InChI InChI=1S/C16H11ClN2O4/c1-23-11-3-2-6-18-13(11)12-14(20)9-5-4-8(17)7-10(9)19-16(22)15(12)21/h2-7,21H,1H3,(H,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 400n/an/an/an/an/an/an/an/a



Charles University Prague

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli

Bioorg Med Chem 18: 1434-40 (2010)


Article DOI: 10.1016/j.bmc.2010.01.015
More data for this
Ligand-Target Pair