BDBM50168434 CHEMBL3805738

SMILES: C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1

InChI Key: InChIKey=YTPMIHHBQWNYIV-VIFPVBQESA-N

Data: 1 IC50  1 EC50

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 = 50168434   

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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50168434 (CHEMBL3805738) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C21H15F3N8O/c1-9(28-18-13(8-25)17(26)30-21(27)31-18)19-29-15-4-2-3-14(24)16(15)20(33)32(19)12-6-10(22)5-11(23)7-12/h2-7,9H,1H3,(H5,26,27,28,30,31)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...				J Med Chem 59: 3532-48 (2016) BindingDB Entry DOI: 10.7270/Q22Z17F0
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50168434 (CHEMBL3805738) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C21H15F3N8O/c1-9(28-18-13(8-25)17(26)30-21(27)31-18)19-29-15-4-2-3-14(24)16(15)20(33)32(19)12-6-10(22)5-11(23)7-12/h2-7,9H,1H3,(H5,26,27,28,30,31)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50168434 (CHEMBL3805738) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C21H15F3N8O/c1-9(28-18-13(8-25)17(26)30-21(27)31-18)19-29-15-4-2-3-14(24)16(15)20(33)32(19)12-6-10(22)5-11(23)7-12/h2-7,9H,1H3,(H5,26,27,28,30,31)/t9-/m0/s1	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	n/a	n/a	1	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as basophil degranulation by measuring CD63 surface expression on CCR3 positive cells after 60 ...				J Med Chem 59: 3532-48 (2016) BindingDB Entry DOI: 10.7270/Q22Z17F0
					More data for this Ligand-Target Pair