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SMILES: CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12

InChI Key: InChIKey=CKNUTANRFRGJSU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50232443   

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))	BDBM50232443 (CHEMBL4098611 | US10214537, Example 303) Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 27: 855-861 (2017) BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232443 (CHEMBL4098611 | US10214537, Example 303) Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...				US Patent US10214537 (2019) BindingDB Entry DOI: 10.7270/Q2HH6NB2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232443 (CHEMBL4098611 | US10214537, Example 303) Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	681	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis				Bioorg Med Chem Lett 27: 855-861 (2017) BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair