new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1' and Ligand = 'BDBM50138964'   
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-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138964
PNG
(6-(3-Benzyloxy-phenyl)-1-(4-chloro-phenyl)-1,6-dih...)
Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 |c:6,t:1|
Show InChI InChI=1S/C22H20ClN5O/c23-17-9-11-18(12-10-17)28-20(26-21(24)27-22(28)25)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,20H,14H2,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.


J Med Chem 47: 673-80 (2004)


Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138964
PNG
(6-(3-Benzyloxy-phenyl)-1-(4-chloro-phenyl)-1,6-dih...)
Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 |c:6,t:1|
Show InChI InChI=1S/C22H20ClN5O/c23-17-9-11-18(12-10-17)28-20(26-21(24)27-22(28)25)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,20H,14H2,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.


J Med Chem 47: 673-80 (2004)


Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138964
PNG
(6-(3-Benzyloxy-phenyl)-1-(4-chloro-phenyl)-1,6-dih...)
Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 |c:6,t:1|
Show InChI InChI=1S/C22H20ClN5O/c23-17-9-11-18(12-10-17)28-20(26-21(24)27-22(28)25)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,20H,14H2,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum


J Med Chem 47: 673-80 (2004)


Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138964
PNG
(6-(3-Benzyloxy-phenyl)-1-(4-chloro-phenyl)-1,6-dih...)
Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 |c:6,t:1|
Show InChI InChI=1S/C22H20ClN5O/c23-17-9-11-18(12-10-17)28-20(26-21(24)27-22(28)25)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,20H,14H2,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
638n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum


J Med Chem 47: 673-80 (2004)


Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138964
PNG
(6-(3-Benzyloxy-phenyl)-1-(4-chloro-phenyl)-1,6-dih...)
Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 |c:6,t:1|
Show InChI InChI=1S/C22H20ClN5O/c23-17-9-11-18(12-10-17)28-20(26-21(24)27-22(28)25)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,20H,14H2,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
771n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum


J Med Chem 47: 673-80 (2004)


Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J
More data for this
Ligand-Target Pair