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BDBM50405127 CHEMBL609836

InChI string: InChI=1S/C17H19N4O9P/c1-28-9-4-2-8(3-5-9)14-19-15-11(16(24)20-14)18-7-21(15)17-13(23)12(22)10(30-17)6-29-31(25,26)27/h2-5,7,10,12-13,17,22-23H,6H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,12-,13-,17?/m0/s1

SMILES: COc1ccc(cc1)-c1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=LJOFJXTYBXRPHY-ZZEYYFMNSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50405127   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50405127
PNG
(CHEMBL609836)
Show SMILES COc1ccc(cc1)-c1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H19N4O9P/c1-28-9-4-2-8(3-5-9)14-19-15-11(16(24)20-14)18-7-21(15)17-13(23)12(22)10(30-17)6-29-31(25,26)27/h2-5,7,10,12-13,17,22-23H,6H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,12-,13-,17?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 8.10E+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