BDBM50389067 CHEMBL2064346

SMILES: O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1

InChI Key: InChIKey=WOQUVNKDDWFSGT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50389067   

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 beta isoform (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kalpha expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as ...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of mTOR				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant CPY3A4				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of poly-His tagged human PI3Kdelta expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate p...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kgamma expressed in baculovirus infected insect sf9 cells using PI(4,5)P2 as substrate preincubated...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair