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BDBM50405986 CHEMBL56668

SMILES: Nc1ncc(Cc2ccc(O)cc2)c(N)n1

InChI Key: InChIKey=CEFCYXFPPQNRCK-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50405986   
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


(Lactobacillus casei)
BDBM50405986
PNG
(CHEMBL56668)
Show SMILES Nc1ncc(Cc2ccc(O)cc2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
417n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405986
PNG
(CHEMBL56668)
Show SMILES Nc1ncc(Cc2ccc(O)cc2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.76E+4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken liver dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair