BDBM50537719 CHEMBL4644618

SMILES: [H][C@]12CN(c3nc(ncc3C#N)-c3cccnc3)[C@]([H])(CN1c1cccc(F)c1)C2

InChI Key: InChIKey=JQKOPVBTPUJVHP-OALUTQOASA-N

Data: 1 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 1 hit for monomerid = 50537719   

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))	BDBM50537719 (CHEMBL4644618) Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cccnc3)[C@]([H])(CN1c1cccc(F)c1)C2 |r| Show InChI InChI=1S/C21H17FN6/c22-16-4-1-5-17(7-16)27-12-19-8-18(27)13-28(19)21-15(9-23)11-25-20(26-21)14-3-2-6-24-10-14/h1-7,10-11,18-19H,8,12-13H2/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair