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BDBM50527937 CHEMBL4540008

SMILES: CS(=O)(=O)Nc1ccc(cc1)-c1cncc(\C=C2/OC(=O)NC2=O)c1

InChI Key: InChIKey=WUVIMTDBONSKKB-AUWJEWJLSA-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 = 50527937   
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-5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50527937
PNG
(CHEMBL4540008)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cncc(\C=C2/OC(=O)NC2=O)c1
Show InChI InChI=1S/C16H13N3O5S/c1-25(22,23)19-13-4-2-11(3-5-13)12-6-10(8-17-9-12)7-14-15(20)18-16(21)24-14/h2-9,19H,1H3,(H,18,20,21)/b14-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant PI5P4Kalpha (unknown origin) incubated for 1 hr in presence of DPPS and PI5P by ADP-Glo assay


J Med Chem 63: 4880-4895 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00227
More data for this
Ligand-Target Pair
Phosphatidylinositol-5-phosphate 4-kinase type-2 beta


(Homo sapiens (Human))
BDBM50527937
PNG
(CHEMBL4540008)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cncc(\C=C2/OC(=O)NC2=O)c1
Show InChI InChI=1S/C16H13N3O5S/c1-25(22,23)19-13-4-2-11(3-5-13)12-6-10(8-17-9-12)7-14-15(20)18-16(21)24-14/h2-9,19H,1H3,(H,18,20,21)/b14-7-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant PI5P4Kbeta (unknown origin) incubated for 1 hr in presence of DPPS and PI5P by ADP-Glo assay


J Med Chem 63: 4880-4895 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00227
More data for this
Ligand-Target Pair