BDBM50239554 CHEMBL4073335

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

InChI Key: InChIKey=RATQMQSQVVIPRC-FQEVSTJZSA-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 = 50239554   

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
p110β/p85α (Homo sapiens (Human))	BDBM50239554 (CHEMBL4073335) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r| Show InChI InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/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	251	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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50239554 (CHEMBL4073335) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r| Show InChI InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/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	1.60	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239554 (CHEMBL4073335) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r| Show InChI InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/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	13	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