BDBM50245552 CHEMBL4105636

SMILES: C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12

InChI Key: InChIKey=SHKYAELFWYZOMT-NSHDSACASA-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 = 50245552   

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))	BDBM50245552 (CHEMBL4105636) Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM50245552 (CHEMBL4105636) Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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))	BDBM50245552 (CHEMBL4105636) Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	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