BDBM50232453 CHEMBL4091906::US10214537, Example 271

SMILES: C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O

InChI Key: InChIKey=NMPCSALLBCPIRX-BGYRXZFFSA-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 = 50232453   

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))	BDBM50232453 (CHEMBL4091906 | US10214537, Example 271) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O |r| Show InChI InChI=1S/C30H38N8O3/c1-19-16-35(29(39)30(3,4)40)17-20(2)36(19)23-7-5-6-21(14-23)26-15-24(27-28(31)32-18-34-38(26)27)25-8-11-33-37(25)22-9-12-41-13-10-22/h5-8,11,14-15,18-20,22,40H,9-10,12-13,16-17H2,1-4H3,(H2,31,32,34)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	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))	BDBM50232453 (CHEMBL4091906 | US10214537, Example 271) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O |r| Show InChI InChI=1S/C30H38N8O3/c1-19-16-35(29(39)30(3,4)40)17-20(2)36(19)23-7-5-6-21(14-23)26-15-24(27-28(31)32-18-34-38(26)27)25-8-11-33-37(25)22-9-12-41-13-10-22/h5-8,11,14-15,18-20,22,40H,9-10,12-13,16-17H2,1-4H3,(H2,31,32,34)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	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))	BDBM50232453 (CHEMBL4091906 | US10214537, Example 271) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O |r| Show InChI InChI=1S/C30H38N8O3/c1-19-16-35(29(39)30(3,4)40)17-20(2)36(19)23-7-5-6-21(14-23)26-15-24(27-28(31)32-18-34-38(26)27)25-8-11-33-37(25)22-9-12-41-13-10-22/h5-8,11,14-15,18-20,22,40H,9-10,12-13,16-17H2,1-4H3,(H2,31,32,34)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins				Bioorg Med Chem Lett 27: 855-861 (2017) BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair