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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50135142   
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


(Escherichia coli)
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DHFR assessed as reduction in consumption of NADPH using DHFA as substrate


Bioorg Med Chem Lett 29: 1874-1880 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.004
BindingDB Entry DOI: 10.7270/Q2P84GBC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair