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BDBM50405979 CHEMBL53516

SMILES: CCc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO

InChI Key: InChIKey=AQPUXQDHDFBYAE-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50405979   
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)
BDBM50405979
PNG
(CHEMBL53516)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO
Show InChI InChI=1S/C15H20N4O2/c1-2-10-3-9(5-12(7-20)13(10)8-21)4-11-6-18-15(17)19-14(11)16/h3,5-6,20-21H,2,4,7-8H2,1H3,(H4,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
195n/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))
BDBM50405979
PNG
(CHEMBL53516)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO
Show InChI InChI=1S/C15H20N4O2/c1-2-10-3-9(5-12(7-20)13(10)8-21)4-11-6-18-15(17)19-14(11)16/h3,5-6,20-21H,2,4,7-8H2,1H3,(H4,16,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.63E+5n/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