BDBM50530904 CHEMBL4456577

SMILES: COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1

InChI Key: InChIKey=ALMRAXUYNOTNJB-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50530904   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 ...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 ...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499
					More data for this Ligand-Target Pair