BDBM50204101 CHEMBL3942049

SMILES: C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1

InChI Key: InChIKey=IEAFYFVXFGKEPN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50204101   

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 delta isoform (Homo sapiens (Human))	BDBM50204101 (CHEMBL3942049) Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay				Eur J Med Chem 122: 731-743 (2016) Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50204101 (CHEMBL3942049) Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay				Eur J Med Chem 122: 731-743 (2016) Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50204101 (CHEMBL3942049) Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay				Eur J Med Chem 122: 731-743 (2016) Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50204101 (CHEMBL3942049) Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay				Eur J Med Chem 122: 731-743 (2016) Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6
					More data for this Ligand-Target Pair