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BDBM50421672 CHEMBL367061

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=XQQZRZPTLJNMLX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50421672   
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


(Escherichia coli)
BDBM50421672
PNG
(CHEMBL367061)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)
MMDB

NCI pathway
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KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421672
PNG
(CHEMBL367061)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair