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BDBM50405119 CHEMBL610154

InChI string: InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1

SMILES: O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)c1nc2nc(SCc3ccc(cc3Cl)[N+]([O-])=O)[nH]c(=O)c2[nH]1

InChI Key: InChIKey=ZLCKIAFHCBNXGY-KBXLZEGYSA-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 = 50405119   
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))
BDBM50405119
PNG
(CHEMBL610154)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)c1nc2nc(SCc3ccc(cc3Cl)[N+]([O-])=O)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 2.30E+4n/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