BDBM50239556 CHEMBL4083733

SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1

InChI Key: InChIKey=YPPYEVMVSNICSZ-DEOSSOPVSA-N

Data: 3 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 3 hits for monomerid = 50239556   

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))	BDBM50239556 (CHEMBL4083733) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r| Show InChI InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/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 Patents Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50239556 (CHEMBL4083733) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r| Show InChI InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239556 (CHEMBL4083733) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r| Show InChI InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/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 Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair