BDBM50245561 CHEMBL4069213

SMILES: C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12

InChI Key: InChIKey=JBSVGZAQOQVOEB-NEPJUHHUSA-N

Data: 3 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 3 hits for monomerid = 50245561   

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))	BDBM50245561 (CHEMBL4069213) Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1	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	260	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50245561 (CHEMBL4069213) Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1	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	<0.300	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))	BDBM50245561 (CHEMBL4069213) Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1	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	56	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 IFNgammaX production 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