BDBM50387528 CHEMBL2059908

SMILES: CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1

InChI Key: InChIKey=NEEIFTJBPMCSFH-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50387528   

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 gamma isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as inhibition of fMLP-induced neutrophil migration assay by cell based assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by high throughput chemoproteomics binding assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by high throughput chemoproteomics binding assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay				Bioorg Med Chem Lett 22: 4546-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.121 BindingDB Entry DOI: 10.7270/Q2J38TMN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay				Bioorg Med Chem Lett 22: 4546-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.121 BindingDB Entry DOI: 10.7270/Q2J38TMN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human HL60 cell lysate by kinobead assay				Bioorg Med Chem Lett 22: 4546-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.121 BindingDB Entry DOI: 10.7270/Q2J38TMN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human HL60 cell lysate by kinobead assay				Bioorg Med Chem Lett 22: 4546-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.121 BindingDB Entry DOI: 10.7270/Q2J38TMN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50387528 (CHEMBL2059908) Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1 Show InChI InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(5-14-6-10)8-2-3-11-15-12(13)16-17(11)7-8/h2-7H,1H3,(H2,13,16)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as inhibition of C5a-induced AKT phosphorylation at Ser473 by cell based assay				Bioorg Med Chem Lett 22: 5257-63 (2012) Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP
					More data for this Ligand-Target Pair