BDBM50401151 CHEMBL2205764

SMILES: CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

InChI Key: InChIKey=YVFBCMVHJYQPKJ-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 = 50401151   

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))	BDBM50401151 (CHEMBL2205764) Show SMILES CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)	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+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta assessed as change in pIC50 by kinobeads assay				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50401151 (CHEMBL2205764) Show SMILES CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)	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	1.26E+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Ca				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50401151 (CHEMBL2205764) Show SMILES CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Cg				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50401151 (CHEMBL2205764) Show SMILES CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)	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	3.16E+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Cb				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair