BDBM50239555 CHEMBL4094000

SMILES: CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1

InChI Key: InChIKey=ZUQSHQGUCXJKSV-QFIPXVFZSA-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 = 50239555   

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))	BDBM50239555 (CHEMBL4094000) Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/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	Article PubMed	n/a	n/a	1.30	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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50239555 (CHEMBL4094000) Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/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	Article PubMed	n/a	n/a	0.631	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))	BDBM50239555 (CHEMBL4094000) Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	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