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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotase' and Ligand = 'BDBM50536774'   
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
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536774
PNG
(CHEMBL4560356)
Show SMILES CSC1(NC#N)NCCc2c1[nH]c1ccc(F)cc21
Show InChI InChI=1S/C13H13FN4S/c1-19-13(17-7-15)12-9(4-5-16-13)10-6-8(14)2-3-11(10)18-12/h2-3,6,16-18H,4-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.70E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536774
PNG
(CHEMBL4560356)
Show SMILES CSC1(NC#N)NCCc2c1[nH]c1ccc(F)cc21
Show InChI InChI=1S/C13H13FN4S/c1-19-13(17-7-15)12-9(4-5-16-13)10-6-8(14)2-3-11(10)18-12/h2-3,6,16-18H,4-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair