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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50110757   
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


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110757
PNG
(5-Phenyl-pyrimidine-2,4-diamine | CHEMBL21690)
Show SMILES Nc1ncc(c(N)n1)-c1ccccc1
Show InChI InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
41.9n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of the wild-type dihydrofolate reductase (DHFR)


J Med Chem 45: 1244-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z89BQ1
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110757
PNG
(5-Phenyl-pyrimidine-2,4-diamine | CHEMBL21690)
Show SMILES Nc1ncc(c(N)n1)-c1ccccc1
Show InChI InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
76.2n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)


J Med Chem 45: 1244-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z89BQ1
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110757
PNG
(5-Phenyl-pyrimidine-2,4-diamine | CHEMBL21690)
Show SMILES Nc1ncc(c(N)n1)-c1ccccc1
Show InChI InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
81n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)


J Med Chem 45: 1244-52 (2002)


BindingDB Entry DOI: 10.7270/Q2Z89BQ1
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110757
PNG
(5-Phenyl-pyrimidine-2,4-diamine | CHEMBL21690)
Show SMILES Nc1ncc(c(N)n1)-c1ccccc1
Show InChI InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition constant against Plasmodium falciparum dihydrofolate reductase


J Med Chem 47: 4258-67 (2004)

Checked by Author
Article DOI: 10.1021/jm040769c
BindingDB Entry DOI: 10.7270/Q2HH6JKZ
More data for this
Ligand-Target Pair