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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50110755   
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))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR, relative to trimethoprim


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR, relative to trimethoprim


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR, relative to trimethoprim


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 strain with wild type DHFR


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

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



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum Csl-2 strain with triple mutation (C59R + S108N + I164L) DHFR


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)


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))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum K1CB1 strain with double mutation (C59R + S108N) DHFR


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50110755
PNG
(5-(3-butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)
Show SMILES CCCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H32N4O5/c1-5-6-9-33-20-11-16(10-18-14-28-25(27)29-24(18)26)7-8-19(20)34-15-17-12-21(30-2)23(32-4)22(13-17)31-3/h7-8,11-14H,5-6,9-10,15H2,1-4H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.59E+4n/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
In vitro antimalarial activity against Plasmodium falciparum Vl/S strain with quadruple mutation (N51I + C59R + S108N + I164L) DHFR


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair