BDBM50112823 CHEMBL3609526

SMILES: C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F

InChI Key: InChIKey=VPOMGPGTRWISIU-RNCFNFMXSA-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 = 50112823   

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))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr...				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kgamma expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kbeta expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	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) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair