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BDBM50405124 CHEMBL609844

InChI string: InChI=1S/C17H19N4O8P/c22-13-10(7-28-30(25,26)27)29-17(14(13)23)21-8-18-12-15(21)19-11(20-16(12)24)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,22-23H,6-7H2,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1

SMILES: O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(Cc1ccccc1)[nH]c2=O

InChI Key: InChIKey=RLKWZVKPWSFDGH-DSNGXRGGSA-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 = 50405124   
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))
BDBM50405124
PNG
(CHEMBL609844)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(Cc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C17H19N4O8P/c22-13-10(7-28-30(25,26)27)29-17(14(13)23)21-8-18-12-15(21)19-11(20-16(12)24)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,22-23H,6-7H2,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 7.70E+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