BindingDB PrimarySearch

null

SMILES: CC(C)n1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O

InChI Key: InChIKey=DJWGTNCIAUYYCQ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50426797
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 beta isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presenc...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phosphorylation at Ser473 after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...				Bioorg Med Chem Lett 23: 897-901 (2013) Article DOI: 10.1016/j.bmcl.2012.10.121 BindingDB Entry DOI: 10.7270/Q21C1Z5X
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kdelta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells				Bioorg Med Chem Lett 23: 897-901 (2013) Article DOI: 10.1016/j.bmcl.2012.10.121 BindingDB Entry DOI: 10.7270/Q21C1Z5X
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50426797 (CHEMBL2322764) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kgamma expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)