BDBM50239558 CHEMBL4078365

SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1

InChI Key: InChIKey=COPYQHSGLDXCIJ-ZRBLBEILSA-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 = 50239558   

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))	BDBM50239558 (CHEMBL4078365) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C32H40N8O2S/c1-20-18-43-28-13-26(23(4)37-31-27(14-33)30(34)35-19-36-31)29(32(41)40(20)28)25-9-6-8-24(12-25)17-38(5)10-7-11-39-15-21(2)42-22(3)16-39/h6,8-9,12-13,18-19,21-23H,7,10-11,15-17H2,1-5H3,(H3,34,35,36,37)/t21-,22+,23-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239558 (CHEMBL4078365) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C32H40N8O2S/c1-20-18-43-28-13-26(23(4)37-31-27(14-33)30(34)35-19-36-31)29(32(41)40(20)28)25-9-6-8-24(12-25)17-38(5)10-7-11-39-15-21(2)42-22(3)16-39/h6,8-9,12-13,18-19,21-23H,7,10-11,15-17H2,1-5H3,(H3,34,35,36,37)/t21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239558 (CHEMBL4078365) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C32H40N8O2S/c1-20-18-43-28-13-26(23(4)37-31-27(14-33)30(34)35-19-36-31)29(32(41)40(20)28)25-9-6-8-24(12-25)17-38(5)10-7-11-39-15-21(2)42-22(3)16-39/h6,8-9,12-13,18-19,21-23H,7,10-11,15-17H2,1-5H3,(H3,34,35,36,37)/t21-,22+,23-/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	1.30	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