BDBM50232432 CHEMBL4065659

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

InChI Key: InChIKey=IKMRFDFNQYTUNP-HDICACEKSA-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 = 50232432   

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))	BDBM50232432 (CHEMBL4065659) Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+	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	314	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232432 (CHEMBL4065659) Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+	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	11	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