BDBM50064295 CHEMBL3403675

SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1

InChI Key: InChIKey=YNAOPYZDLMBFOU-ZDUSSCGKSA-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 = 50064295   

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))	BDBM50064295 (CHEMBL3403675) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/m0/s1	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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064295 (CHEMBL3403675) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/m0/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	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50064295 (CHEMBL3403675) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/m0/s1	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	280	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50064295 (CHEMBL3403675) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/m0/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	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064295 (CHEMBL3403675) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/m0/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	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair