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BDBM50457864 CHEMBL4213363

SMILES: COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2nc(N)nc3scnc23)cc1

InChI Key: InChIKey=IELPDCATGFILAL-NWDGAFQWSA-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 = 50457864   
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))
BDBM50457864
PNG
(CHEMBL4213363)
Show SMILES COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2nc(N)nc3scnc23)cc1 |r|
Show InChI InChI=1S/C19H23N7O2S/c1-11-9-26(19(27)22-13-4-6-14(28-3)7-5-13)12(2)8-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)(H2,20,23,24)/t11-,12+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 381n/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
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50457864
PNG
(CHEMBL4213363)
Show SMILES COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2nc(N)nc3scnc23)cc1 |r|
Show InChI InChI=1S/C19H23N7O2S/c1-11-9-26(19(27)22-13-4-6-14(28-3)7-5-13)12(2)8-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)(H2,20,23,24)/t11-,12+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 275n/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