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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' and Ligand = 'BDBM50405114'   
Target
(Institution)
LigandTarget
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
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405114
PNG
(CHEMBL609561)
Show SMILES CCCCCCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H25N4O8P/c1-2-3-4-5-6-10-18-14-11(15(23)19-10)17-8-20(14)16-13(22)12(21)9(28-16)7-27-29(24,25)26/h8-9,12-13,16,21-22H,2-7H2,1H3,(H,18,19,23)(H2,24,25,26)/t9-,12-,13-,16?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)

More data for this
Ligand-Target Pair