BindingDB logo
myBDB logout

null

SMILES: CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccncc1

InChI Key: InChIKey=BFKKZVMQJNNEFK-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 = 50536188   
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


(Staphylococcus aureus)		BDBM50536188
PNG
(CHEMBL4532935)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccncc1
Show InChI InChI=1S/C22H21N5O2/c1-3-18-16(21(23)27-22(24)26-18)5-4-13(2)15-10-17(14-6-8-25-9-7-14)20-19(11-15)28-12-29-20/h6-11,13H,3,12H2,1-2H3,(H4,23,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.5n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy...

J Med Chem 59: 6493-500 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00688
More data for this
Ligand-Target Pair