BindingDB PrimarySearch

BDBM50388102 CHEMBL2058172

SMILES: COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=SACVGFNKAAPQIB-UHFFFAOYSA-N

Data: 4 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50388102
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 alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG by Herg fluorescence polarization assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
Spanish National Cancer Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair