BDBM50232457 CHEMBL4091002::US10214537, Example 225

SMILES: C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O

InChI Key: InChIKey=ZRJKXNSIGPWKSF-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 = 50232457   

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))	BDBM50232457 (CHEMBL4091002 | US10214537, Example 225) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r| Show InChI InChI=1S/C28H33FN8O2/c1-17-14-34(19(3)38)15-18(2)35(17)23-11-20(10-21(29)12-23)26-13-24(27-28(30)31-16-33-37(26)27)25-4-7-32-36(25)22-5-8-39-9-6-22/h4,7,10-13,16-18,22H,5-6,8-9,14-15H2,1-3H3,(H2,30,31,33)/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	US Patent	n/a	n/a	1	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))	BDBM50232457 (CHEMBL4091002 | US10214537, Example 225) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r| Show InChI InChI=1S/C28H33FN8O2/c1-17-14-34(19(3)38)15-18(2)35(17)23-11-20(10-21(29)12-23)26-13-24(27-28(30)31-16-33-37(26)27)25-4-7-32-36(25)22-5-8-39-9-6-22/h4,7,10-13,16-18,22H,5-6,8-9,14-15H2,1-3H3,(H2,30,31,33)/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	0.900	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