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PubMed code 22435599

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)		BDBM50396100
PNG
(CHEMBL2170881)
Show SMILES CCOC(=O)c1c(O)c2cc(F)c(OC)cc2nc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H16FNO6/c1-3-26-20(24)17-18(10-4-5-14-16(6-10)28-9-27-14)22-13-8-15(25-2)12(21)7-11(13)19(17)23/h4-8H,3,9H2,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DHOD after 5 to 10 mins by spectrophotometry

J Med Chem 55: 4205-19 (2012)


Article DOI: 10.1021/jm201642z
BindingDB Entry DOI: 10.7270/Q28S4R13
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)		BDBM50396102
PNG
(CHEMBL2170887)
Show SMILES CCOC(=O)c1c(O)c2cc(F)c(OC)cc2nc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H15ClFNO4/c1-3-26-19(24)16-17(10-5-4-6-11(20)7-10)22-14-9-15(25-2)13(21)8-12(14)18(16)23/h4-9H,3H2,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DHOD after 5 to 10 mins by spectrophotometry

J Med Chem 55: 4205-19 (2012)


Article DOI: 10.1021/jm201642z
BindingDB Entry DOI: 10.7270/Q28S4R13
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)		BDBM50396103
PNG
(CHEMBL1093727)
Show SMILES CCOC(=O)c1c(O)c2ccc(OC)cc2nc1-c1cccc(F)c1
Show InChI InChI=1S/C19H16FNO4/c1-3-25-19(23)16-17(11-5-4-6-12(20)9-11)21-15-10-13(24-2)7-8-14(15)18(16)22/h4-10H,3H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DHOD after 5 to 10 mins by spectrophotometry

J Med Chem 55: 4205-19 (2012)


Article DOI: 10.1021/jm201642z
BindingDB Entry DOI: 10.7270/Q28S4R13
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)		BDBM50396101
PNG
(CHEMBL2170884)
Show SMILES CCOC(=O)c1c(O)c2cc(F)c(OC)cc2nc1-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H20FNO5/c1-3-31-25(29)22-23(27-20-14-21(30-2)19(26)13-18(20)24(22)28)15-8-7-11-17(12-15)32-16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DHOD after 5 to 10 mins by spectrophotometry

J Med Chem 55: 4205-19 (2012)


Article DOI: 10.1021/jm201642z
BindingDB Entry DOI: 10.7270/Q28S4R13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%