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BDBM50457870 CHEMBL1652677

SMILES: Nc1nc(N2CCN(CC2)C(=O)COc2ccc(Cl)cc2)c2nc(sc2n1)-c1cccnc1

InChI Key: InChIKey=PBAJDSDQGTWEPG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50457870   
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
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50457870
PNG
(CHEMBL1652677)
Show SMILES Nc1nc(N2CCN(CC2)C(=O)COc2ccc(Cl)cc2)c2nc(sc2n1)-c1cccnc1
Show InChI InChI=1S/C22H20ClN7O2S/c23-15-3-5-16(6-4-15)32-13-17(31)29-8-10-30(11-9-29)19-18-21(28-22(24)27-19)33-20(26-18)14-2-1-7-25-12-14/h1-7,12H,8-11,13H2,(H2,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in baculovirus expression system using PI lipid kinase substrate after 60 ...


J Med Chem 61: 6705-6723 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00521
BindingDB Entry DOI: 10.7270/Q2FF3W01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50457870
PNG
(CHEMBL1652677)
Show SMILES Nc1nc(N2CCN(CC2)C(=O)COc2ccc(Cl)cc2)c2nc(sc2n1)-c1cccnc1
Show InChI InChI=1S/C22H20ClN7O2S/c23-15-3-5-16(6-4-15)32-13-17(31)29-8-10-30(11-9-29)19-18-21(28-22(24)27-19)33-20(26-18)14-2-1-7-25-12-14/h1-7,12H,8-11,13H2,(H2,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta in human PBMC assessed as reduction in mitomycin-C treated human RPMI1788 cells-stimulated lymphocyte proliferation by measur...


J Med Chem 61: 6705-6723 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00521
BindingDB Entry DOI: 10.7270/Q2FF3W01
More data for this
Ligand-Target Pair