BDBM50403062 CHEMBL2216857

SMILES: Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1

InChI Key: InChIKey=JYDJBPGMWFAOJP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50403062   

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))	BDBM50403062 (CHEMBL2216857) Show SMILES Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:15| Show InChI InChI=1S/C20H23N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11,14,17H,6-7,9H2,1-3H3,(H,23,26)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403062 (CHEMBL2216857) Show SMILES Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:15| Show InChI InChI=1S/C20H23N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11,14,17H,6-7,9H2,1-3H3,(H,23,26)	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	111	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in neutrophil assessed as inhibition of superoxide production by cell-based assay				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair