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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50407497'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50407497
PNG
(CHEMBL121669)
Show SMILES CC(C)COc1ccc2nc(N)nc(N)c2c1Sc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4OS/c1-13(2)12-27-17-11-10-16-18(20(23)26-21(24)25-16)19(17)28-15-8-6-14(7-9-15)22(3,4)5/h6-11,13H,12H2,1-5H3,(H4,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human dihydrofolate reductase


J Med Chem 38: 3608-16 (1995)


BindingDB Entry DOI: 10.7270/Q2V69KS6
More data for this
Ligand-Target Pair