BDBM50044286 CHEMBL3356901

SMILES: COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1

InChI Key: InChIKey=LWEIOXGOXUSRJQ-UHFFFAOYSA-N

Data: 2 KI

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 = 50044286   

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))	BDBM50044286 (CHEMBL3356901) Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1 Show InChI InChI=1S/C20H20N6O2S/c1-26-12-22-10-15(26)5-6-23-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)11-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis				J Med Chem 58: 517-21 (2015) Article DOI: 10.1021/jm500362j BindingDB Entry DOI: 10.7270/Q2K35W9M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50044286 (CHEMBL3356901) Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1 Show InChI InChI=1S/C20H20N6O2S/c1-26-12-22-10-15(26)5-6-23-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)11-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis				J Med Chem 58: 517-21 (2015) Article DOI: 10.1021/jm500362j BindingDB Entry DOI: 10.7270/Q2K35W9M
					More data for this Ligand-Target Pair