BDBM50512309 CHEMBL4546631

SMILES: CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C

InChI Key: InChIKey=CBJZJWGYMFLHTH-UHFFFAOYSA-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 = 50512309   

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
p110α/p85α (Homo sapiens (Human))	BDBM50512309 (CHEMBL4546631) Show SMILES CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C Show InChI InChI=1S/C20H28N8O/c1-6-28-13(4)15(8-23-28)19-25-17-18(21-11-22-20(17)26(19)5)24-14-7-16(29)27(10-14)9-12(2)3/h8,11-12,14H,6-7,9-10H2,1-5H3,(H,21,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50512309 (CHEMBL4546631) Show SMILES CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C Show InChI InChI=1S/C20H28N8O/c1-6-28-13(4)15(8-23-28)19-25-17-18(21-11-22-20(17)26(19)5)24-14-7-16(29)27(10-14)9-12(2)3/h8,11-12,14H,6-7,9-10H2,1-5H3,(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512309 (CHEMBL4546631) Show SMILES CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C Show InChI InChI=1S/C20H28N8O/c1-6-28-13(4)15(8-23-28)19-25-17-18(21-11-22-20(17)26(19)5)24-14-7-16(29)27(10-14)9-12(2)3/h8,11-12,14H,6-7,9-10H2,1-5H3,(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818
					More data for this Ligand-Target Pair