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BDBM50421864 CHEMBL441616

SMILES: Cc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12

InChI Key: InChIKey=AEVPVLVQOALREA-UHFFFAOYSA-N

Data: 2 IC50

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   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 = 50421864   
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 type 1


(Escherichia coli)
BDBM50421864
PNG
(CHEMBL441616)
Show SMILES Cc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12
Show InChI InChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421864
PNG
(CHEMBL441616)
Show SMILES Cc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12
Show InChI InChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in rat liver


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair