BDBM50245562 CHEMBL4097187

SMILES: [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H]

InChI Key: InChIKey=SAKNYPNGZWVPOL-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 = 50245562   

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))	BDBM50245562 (CHEMBL4097187) Show SMILES [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H] Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay				Bioorg Med Chem Lett 27: 2849-2853 (2017) Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50245562 (CHEMBL4097187) Show SMILES [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H] Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr				Bioorg Med Chem Lett 27: 2849-2853 (2017) Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R
					More data for this Ligand-Target Pair