BDBM50197065 CHEMBL3913354

SMILES: Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1

InChI Key: InChIKey=CRZTZRWPHCWXOK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50197065   

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-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50197065 (CHEMBL3913354) Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1 Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay ...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50197065 (CHEMBL3913354) Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1 Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of human Vps34 assessed as reduction in lipid kinase activity using PV5122 substrate incubated for 1 hr by Adapta kinase assay				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50197065 (CHEMBL3913354) Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1 Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of DNA-PK (unknown origin)				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50197065 (CHEMBL3913354) Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1 Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50197065 (CHEMBL3913354) Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1 Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50197065 (CHEMBL3913354) Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1 Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Curtin University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha/p85alpha (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput ...				J Med Chem 60: 47-65 (2017) Article DOI: 10.1021/acs.jmedchem.6b00963 BindingDB Entry DOI: 10.7270/Q2PG1TPX
					More data for this Ligand-Target Pair