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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3' and Ligand = 'BDBM50508538'   
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50508538
PNG
(CHEMBL4472403)
Show SMILES CN1CCC(CC1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
Show InChI InChI=1S/C29H29N7O/c1-35-12-7-21(8-13-35)34-29(37)23-5-9-30-18-26(23)33-22-16-24(28-25(17-22)31-10-11-32-28)20-4-3-19-6-14-36(2)27(19)15-20/h3-6,9-11,14-18,21,33H,7-8,12-13H2,1-2H3,(H,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...


Bioorg Med Chem Lett 29: 646-653 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))
BDBM50508538
PNG
(CHEMBL4472403)
Show SMILES CN1CCC(CC1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
Show InChI InChI=1S/C29H29N7O/c1-35-12-7-21(8-13-35)34-29(37)23-5-9-30-18-26(23)33-22-16-24(28-25(17-22)31-10-11-32-28)20-4-3-19-6-14-36(2)27(19)15-20/h3-6,9-11,14-18,21,33H,7-8,12-13H2,1-2H3,(H,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.95E+4n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 in human HCT116 cell lysates assessed as reduction in glycolytic-flux induced fructose-2,6-bisphosphate formation using fructose...


Bioorg Med Chem Lett 29: 646-653 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620
More data for this
Ligand-Target Pair