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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50082925'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50082925
PNG
(6-Phenoxazin-10-ylmethyl-pteridine-2,4-diamine | C...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Oc4ccccc34)cnc2n1
Show InChI InChI=1S/C19H15N7O/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)26/h1-9H,10H2,(H4,20,21,22,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Mycobacterium avium


J Med Chem 42: 4853-60 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R5R
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)
BDBM50082925
PNG
(6-Phenoxazin-10-ylmethyl-pteridine-2,4-diamine | C...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Oc4ccccc34)cnc2n1
Show InChI InChI=1S/C19H15N7O/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)26/h1-9H,10H2,(H4,20,21,22,24,25)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Pneumocystis carinii.


J Med Chem 42: 4853-60 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R5R
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50082925
PNG
(6-Phenoxazin-10-ylmethyl-pteridine-2,4-diamine | C...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Oc4ccccc34)cnc2n1
Show InChI InChI=1S/C19H15N7O/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)26/h1-9H,10H2,(H4,20,21,22,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Rat liver


J Med Chem 42: 4853-60 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R5R
More data for this
Ligand-Target Pair