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BDBM50181515 CHEMBL3819144

SMILES: Nc1nc2[nH]c(SCC(O)CO)nc2c(=O)[nH]1

InChI Key: InChIKey=MRRYYARLHURTMD-UHFFFAOYSA-N

Data: 2 Kd

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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 2 hits for monomerid = 50181515   
Target/Host
(Institution)
LigandTarget/Host
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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181515
PNG
(CHEMBL3819144)
Show SMILES Nc1nc2[nH]c(SCC(O)CO)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3S/c9-7-11-5-4(6(16)13-7)10-8(12-5)17-2-3(15)1-14/h3,14-15H,1-2H2,(H4,9,10,11,12,13,16)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.34E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181515
PNG
(CHEMBL3819144)
Show SMILES Nc1nc2[nH]c(SCC(O)CO)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3S/c9-7-11-5-4(6(16)13-7)10-8(12-5)17-2-3(15)1-14/h3,14-15H,1-2H2,(H4,9,10,11,12,13,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.20E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair