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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4-kinase beta' and Ligand = 'BDBM50200106'   
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
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200106
PNG
(CHEMBL3936684)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCc2cn(Cc3ccccc3)nn2)ccn1
Show InChI InChI=1S/C32H32ClN9O3S/c1-4-25-14-23(12-13-34-25)17-35-27-16-30(33)39-42-31(21(2)37-32(27)42)24-10-11-28(45-3)29(15-24)46(43,44)36-18-26-20-41(40-38-26)19-22-8-6-5-7-9-22/h5-16,20,35-36H,4,17-19H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 209n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia coli BL21 Star


J Med Chem 60: 119-127 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01466
BindingDB Entry DOI: 10.7270/Q2474CVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200106
PNG
(CHEMBL3936684)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCc2cn(Cc3ccccc3)nn2)ccn1
Show InChI InChI=1S/C32H32ClN9O3S/c1-4-25-14-23(12-13-34-25)17-35-27-16-30(33)39-42-31(21(2)37-32(27)42)24-10-11-28(45-3)29(15-24)46(43,44)36-18-26-20-41(40-38-26)19-22-8-6-5-7-9-22/h5-16,20,35-36H,4,17-19H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.70n/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Binding affinity to 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia coli BL21 Star by fluorescence anisotropy based method


J Med Chem 60: 119-127 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01466
BindingDB Entry DOI: 10.7270/Q2474CVJ
More data for this
Ligand-Target Pair