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BDBM50067858 CHEMBL141160::N*6*-(4-Methoxy-phenyl)-N*6*-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine

SMILES: COc1ccc(cc1)N(C)c1ccc2nc(N)nc(N)c2n1

InChI Key: InChIKey=FSHSYLTWZAFRLK-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50067858   
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 (DHFR)


(Pneumocystis carinii)
BDBM50067858
PNG
(CHEMBL141160 | N*6*-(4-Methoxy-phenyl)-N*6*-methyl...)
Show SMILES COc1ccc(cc1)N(C)c1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H16N6O/c1-21(9-3-5-10(22-2)6-4-9)12-8-7-11-13(19-12)14(16)20-15(17)18-11/h3-8H,1-2H3,(H4,16,17,18,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Pneumocystis carinii


J Med Chem 41: 4533-41 (1998)


Article DOI: 10.1021/jm980206z
BindingDB Entry DOI: 10.7270/Q2FX78KJ
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50067858
PNG
(CHEMBL141160 | N*6*-(4-Methoxy-phenyl)-N*6*-methyl...)
Show SMILES COc1ccc(cc1)N(C)c1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H16N6O/c1-21(9-3-5-10(22-2)6-4-9)12-8-7-11-13(19-12)14(16)20-15(17)18-11/h3-8H,1-2H3,(H4,16,17,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Toxoplasma gondii


J Med Chem 41: 4533-41 (1998)


Article DOI: 10.1021/jm980206z
BindingDB Entry DOI: 10.7270/Q2FX78KJ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50067858
PNG
(CHEMBL141160 | N*6*-(4-Methoxy-phenyl)-N*6*-methyl...)
Show SMILES COc1ccc(cc1)N(C)c1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H16N6O/c1-21(9-3-5-10(22-2)6-4-9)12-8-7-11-13(19-12)14(16)20-15(17)18-11/h3-8H,1-2H3,(H4,16,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


J Med Chem 41: 4533-41 (1998)


Article DOI: 10.1021/jm980206z
BindingDB Entry DOI: 10.7270/Q2FX78KJ
More data for this
Ligand-Target Pair