BDBM50533780 CHEMBL4475622

SMILES: COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1

InChI Key: InChIKey=FCCLVMAOXQVMPJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50533780   

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 alpha isoform (Homo sapiens (Human))	BDBM50533780 (CHEMBL4475622) Show SMILES COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1 Show InChI InChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,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	95	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lu...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50533780 (CHEMBL4475622) Show SMILES COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1 Show InChI InChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50533780 (CHEMBL4475622) Show SMILES COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1 Show InChI InChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kbeta (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lum...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50533780 (CHEMBL4475622) Show SMILES COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1 Show InChI InChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human mTOR after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counting				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533780 (CHEMBL4475622) Show SMILES COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1 Show InChI InChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,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	61	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair