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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50050390   
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
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM50050390
PNG
(5-Methyl-6-phenylsulfanylmethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1c(CSc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050390
PNG
(5-Methyl-6-phenylsulfanylmethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1c(CSc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)
BDBM50050390
PNG
(5-Methyl-6-phenylsulfanylmethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1c(CSc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair