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BDBM50181899 CHEMBL3818814

SMILES: CN(C)C(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1

InChI Key: InChIKey=DJKDEYMWPZYXIL-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 = 50181899   
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)
BDBM50181899
PNG
(CHEMBL3818814)
Show SMILES CN(C)C(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C9H12N6O2S/c1-15(2)4(16)3-18-9-11-5-6(13-9)12-8(10)14-7(5)17/h3H2,1-2H3,(H4,10,11,12,13,14,17)
PDB

KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.50E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181899
PNG
(CHEMBL3818814)
Show SMILES CN(C)C(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C9H12N6O2S/c1-15(2)4(16)3-18-9-11-5-6(13-9)12-8(10)14-7(5)17/h3H2,1-2H3,(H4,10,11,12,13,14,17)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 5.30E+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


Citation and Details
More data for this
Ligand-Target Pair