BindingDB logo
myBDB logout

BDBM50352124 CHEMBL1824527

SMILES: NC1=NC2(CCCC2)N(Cc2ccc(Cl)cc2)C(N)=N1

InChI Key: InChIKey=ACILIJSYIKOCET-UHFFFAOYSA-N

Data: 1 IC50

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 = 50352124   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50352124
PNG
(CHEMBL1824527)
Show SMILES NC1=NC2(CCCC2)N(Cc2ccc(Cl)cc2)C(N)=N1
Show InChI InChI=1S/C14H18ClN5/c15-11-5-3-10(4-6-11)9-20-13(17)18-12(16)19-14(20)7-1-2-8-14/h3-6H,1-2,7-9H2,(H4,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as NADPH consumption for conversion of dihydrofolic acid to tetrahydrofolic acid after 6 mins every 5 sec by UV-Vis...


Bioorg Med Chem Lett 21: 5428-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.125
BindingDB Entry DOI: 10.7270/Q2WW7J2T
More data for this
Ligand-Target Pair