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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50496771   
Target/Host
(Institution)
LigandTarget/Host
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
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Escherichia coli (strain K12))
BDBM50496771
PNG
(CHEMBL3220831)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O10P2/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.43E+5n/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli IspF-MEP complex by HPLC based cAMP formation assay


Medchemcomm 4: 130-134 (2013)


Article DOI: 10.1039/c2md20175e
BindingDB Entry DOI: 10.7270/Q2WQ06R8
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Escherichia coli (strain K12))
BDBM50496771
PNG
(CHEMBL3220831)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O10P2/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.97E+5n/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli IspF by HPLC based cAMP formation assay


Medchemcomm 4: 130-134 (2013)


Article DOI: 10.1039/c2md20175e
BindingDB Entry DOI: 10.7270/Q2WQ06R8
More data for this
Ligand-Target Pair