BDBM50358799 CHEMBL1922912

SMILES: Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccc3ccccc3c2)c1

InChI Key: InChIKey=CUIZRUBEOONHNU-UHFFFAOYSA-N

Data: 2 Kd

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 2 hits for monomerid = 50358799   

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))	BDBM50358799 (CHEMBL1922912) Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C19H15N5O2S/c20-19-22-10-16(11-23-19)15-7-17(12-21-9-15)24-27(25,26)18-6-5-13-3-1-2-4-14(13)8-18/h1-12,24H,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Binding affinity to PI3Kalpha				Bioorg Med Chem Lett 21: 6977-81 (2011) Article DOI: 10.1016/j.bmcl.2011.09.118 BindingDB Entry DOI: 10.7270/Q2NK3FFQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50358799 (CHEMBL1922912) Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C19H15N5O2S/c20-19-22-10-16(11-23-19)15-7-17(12-21-9-15)24-27(25,26)18-6-5-13-3-1-2-4-14(13)8-18/h1-12,24H,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Binding affinity to PI3Kbeta				Bioorg Med Chem Lett 21: 6977-81 (2011) Article DOI: 10.1016/j.bmcl.2011.09.118 BindingDB Entry DOI: 10.7270/Q2NK3FFQ
					More data for this Ligand-Target Pair