BDBM50401144 CHEMBL2205771

SMILES: CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

InChI Key: InChIKey=MWWTWWBMSMSISW-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 = 50401144   

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 beta isoform (Homo sapiens (Human))	BDBM50401144 (CHEMBL2205771) Show SMILES CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)	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	2.51E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50401144 (CHEMBL2205771) Show SMILES CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)	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	1.26E+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Cd				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))	BDBM50401144 (CHEMBL2205771) Show SMILES CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)	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	7.94E+6	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))	BDBM50401144 (CHEMBL2205771) Show SMILES CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)	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	7.90	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