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BDBM50005005 CHEMBL2397317

SMILES: COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12

InChI Key: InChIKey=RITGMCAEZVMEQO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50005005   
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))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
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n/an/a 137n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase, PI4K


(Homo sapiens (Human))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
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n/an/a 60n/an/an/an/an/an/a



BioFocus

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


ACS Med Chem Lett 4: 585-9 (2013)


Article DOI: 10.1021/ml400095m
BindingDB Entry DOI: 10.7270/Q2N58Q8J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
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n/an/a 2.00E+3n/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))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
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n/an/a 8n/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 type 2-alpha


(Homo sapiens (Human))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
PDB

KEGG

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antibodypedia
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay


J Med Chem 58: 3767-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00499
BindingDB Entry DOI: 10.7270/Q2MW2JVR
More data for this
Ligand-Target Pair