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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'ghose' and Initial = 'd'   
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


(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
BDBM50502707
PNG
(CHEMBL4458954)
Show SMILES OC(=O)c1cnc(Nc2ccc(cc2)-c2ccncc2)nc1O
Show InChI InChI=1S/C16H12N4O3/c21-14-13(15(22)23)9-18-16(20-14)19-12-3-1-10(2-4-12)11-5-7-17-8-6-11/h1-9H,(H,22,23)(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.35E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of Salmonella typhimurium IspF by malachite green dye based assay


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126660
BindingDB Entry DOI: 10.7270/Q20C501R
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
BDBM50502708
PNG
(CHEMBL3222163)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1cccs1 |c:5,t:8|
Show InChI InChI=1S/C21H16Br2N2O4S2/c1-3-29-20(28)16-10(2)24-21-25(17(16)14-5-4-6-30-14)19(27)15(31-21)9-11-7-12(22)18(26)13(23)8-11/h4-9,17,26H,3H2,1-2H3/b15-9-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of Salmonella typhimurium IspF by malachite green dye based assay


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126660
BindingDB Entry DOI: 10.7270/Q20C501R
More data for this
Ligand-Target Pair