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BDBM50405125 CHEMBL611911

InChI string: InChI=1S/C15H16N5O8P/c21-10-8(5-27-29(24,25)26)28-15(11(10)22)20-6-17-9-13(20)18-12(19-14(9)23)7-2-1-3-16-4-7/h1-4,6,8,10-11,15,21-22H,5H2,(H,18,19,23)(H2,24,25,26)/t8-,10-,11-,15?/m0/s1

SMILES: O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc([nH]c2=O)-c1cccnc1

InChI Key: InChIKey=XEAWTDQJPJUNNT-GQCREDPHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50405125   
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))
BDBM50405125
PNG
(CHEMBL611911)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc([nH]c2=O)-c1cccnc1
Show InChI InChI=1S/C15H16N5O8P/c21-10-8(5-27-29(24,25)26)28-15(11(10)22)20-6-17-9-13(20)18-12(19-14(9)23)7-2-1-3-16-4-7/h1-4,6,8,10-11,15,21-22H,5H2,(H,18,19,23)(H2,24,25,26)/t8-,10-,11-,15?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a>1.00E+6n/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