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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D-beta-D-heptose 7-phosphate kinase' AND taxid = 216591   
Target
(Institution)
LigandTarget
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
D-beta-D-heptose 7-phosphate kinase


(Burkholderia cepacia (strain J2315 / LMG 16656) (B...)
BDBM50425038
PNG
(CHEMBL2312560)
Show SMILES OC(=O)COc1ccc2sc(CNc3nncc(n3)-c3c(Cl)cccc3Cl)nc2c1
Show InChI InChI=1S/C19H13Cl2N5O3S/c20-11-2-1-3-12(21)18(11)14-7-23-26-19(25-14)22-8-16-24-13-6-10(29-9-17(27)28)4-5-15(13)30-16/h1-7H,8-9H2,(H,27,28)(H,22,25,26)
PDB

KEGG

B.MOAD
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PC cid
PC sid
PDB
UniChem

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AffyNet 
PDB
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assay


J Med Chem 56: 1405-17 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-beta-D-heptose 7-phosphate kinase


(Burkholderia cepacia (strain J2315 / LMG 16656) (B...)
BDBM50425039
PNG
(CHEMBL2312559)
Show SMILES COc1cccc(OC)c1-c1cnnc(NCc2nc3cc(OCC(O)=O)ccc3s2)n1
Show InChI InChI=1S/C21H19N5O5S/c1-29-15-4-3-5-16(30-2)20(15)14-9-23-26-21(25-14)22-10-18-24-13-8-12(31-11-19(27)28)6-7-17(13)32-18/h3-9H,10-11H2,1-2H3,(H,27,28)(H,22,25,26)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 810n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assay


J Med Chem 56: 1405-17 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)