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BDBM50227266 CHEMBL332237

SMILES: CCCCOc1ccc(Cc2cnc(N)nc2N)cc1OC

InChI Key: InChIKey=CBVOSPUWDDLWCK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50227266   
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
Dihydrofolate reductase


(Escherichia coli)		BDBM50227266
PNG
(CHEMBL332237)
Show SMILES CCCCOc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C16H22N4O2/c1-3-4-7-22-13-6-5-11(9-14(13)21-2)8-12-10-19-16(18)20-15(12)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H4,17,18,19,20)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.977n/an/an/an/an/an/an/an/a



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase

J Med Chem 31: 366-70 (1988)


BindingDB Entry DOI: 10.7270/Q2BV7JTC
More data for this
Ligand-Target Pair