null

SMILES: C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F

InChI Key: InChIKey=ZCTOUSIBFSPSOQ-NSHDSACASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 358577   

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))	BDBM358577 ((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...) Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM358577 ((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...) Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	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))	BDBM358577 ((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...) Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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))	BDBM358577 ((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...) Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	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