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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orotidine 5'-phosphate decarboxylase' and Ligand = 'BDBM47402'   
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
Orotidine 5'-phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM47402
PNG
(2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1
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MCE
PC cid
PC sid
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Article
PubMed
64n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of yeast ODCase


Bioorg Med Chem 26: 551-565 (2018)


Article DOI: 10.1016/j.bmc.2017.11.037
BindingDB Entry DOI: 10.7270/Q2639SBX
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Methanobacterium thermoautotrophicum)
BDBM47402
PNG
(2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Methanobacterium thermoautotrophicum ODCase


Bioorg Med Chem 26: 551-565 (2018)


Article DOI: 10.1016/j.bmc.2017.11.037
BindingDB Entry DOI: 10.7270/Q2639SBX
More data for this
Ligand-Target Pair