BDBM50537722 CHEMBL4643688

SMILES: [H][C@]12CN(c3nc(ncc3C#N)-c3cnc4[nH]ccc4c3)[C@]([H])(CN1c1cccc(F)c1)C2

InChI Key: InChIKey=WHKNAESTUDYHFE-PMACEKPBSA-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 2 hits for monomerid = 50537722   

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))	US11230547, Compound 1-18 (CHEMBL4643688) Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnc4[nH]ccc4c3)[C@]([H])(CN1c1cccc(F)c1)C2 |r| Show InChI InChI=1S/C23H18FN7/c24-17-2-1-3-18(7-17)30-12-20-8-19(30)13-31(20)23-16(9-25)11-28-22(29-23)15-6-14-4-5-26-21(14)27-10-15/h1-7,10-11,19-20H,8,12-13H2,(H,26,27)/t19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50537722 (CHEMBL4643688) Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnc4[nH]ccc4c3)[C@]([H])(CN1c1cccc(F)c1)C2 |r| Show InChI InChI=1S/C23H18FN7/c24-17-2-1-3-18(7-17)30-12-20-8-19(30)13-31(20)23-16(9-25)11-28-22(29-23)15-6-14-4-5-26-21(14)27-10-15/h1-7,10-11,19-20H,8,12-13H2,(H,26,27)/t19-,20-/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	918	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