BindingDB PrimarySearch

BDBM50392138 CHEMBL2152768

SMILES: CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2c(F)ccc3[nH]ccc23)CC1

InChI Key: InChIKey=ONEJEIKQLAZPNN-UHFFFAOYSA-N

Data: 10 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50392138
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 production in B lymphocyte by immunoassay				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta (unknown origin)				J Med Chem 58: 41-71 (2015) Article DOI: 10.1021/jm501026z BindingDB Entry DOI: 10.7270/Q2P84DJ7
University Hospital Hradec Kralove Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta using PIP2 as substrate assessed as PIP3 formation by fluorescence polarization assay				Bioorg Med Chem Lett 22: 4296-302 (2012) Article DOI: 10.1016/j.bmcl.2012.05.027 BindingDB Entry DOI: 10.7270/Q2HM59J8
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
University Park Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta-mediated AKT phosphorylation in B cells in presence of human serum				Bioorg Med Chem Lett 22: 4296-302 (2012) Article DOI: 10.1016/j.bmcl.2012.05.027 BindingDB Entry DOI: 10.7270/Q2HM59J8
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
University Park Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
University Park Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
University Park Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as upregulation of CD69				Bioorg Med Chem Lett 22: 4296-302 (2012) Article DOI: 10.1016/j.bmcl.2012.05.027 BindingDB Entry DOI: 10.7270/Q2HM59J8
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair