BDBM50435581 CHEMBL2393143

SMILES: OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1

InChI Key: InChIKey=YCVKHDKWZXXMCB-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 = 50435581   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50435581 (CHEMBL2393143) Show SMILES OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H27F2N7O5/c23-18(24)19-25-17-15(2-1-3-16(17)36-13-14(33)12-32)31(19)22-27-20(29-4-8-34-9-5-29)26-21(28-22)30-6-10-35-11-7-30/h1-3,14,18,32-33H,4-13H2	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K p110delta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogr...				Eur J Med Chem 64: 137-47 (2013) Article DOI: 10.1016/j.ejmech.2013.03.038 BindingDB Entry DOI: 10.7270/Q2377B33
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50435581 (CHEMBL2393143) Show SMILES OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H27F2N7O5/c23-18(24)19-25-17-15(2-1-3-16(17)36-13-14(33)12-32)31(19)22-27-20(29-4-8-34-9-5-29)26-21(28-22)30-6-10-35-11-7-30/h1-3,14,18,32-33H,4-13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K p110alpha/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogr...				Eur J Med Chem 64: 137-47 (2013) Article DOI: 10.1016/j.ejmech.2013.03.038 BindingDB Entry DOI: 10.7270/Q2377B33
					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))	BDBM50435581 (CHEMBL2393143) Show SMILES OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H27F2N7O5/c23-18(24)19-25-17-15(2-1-3-16(17)36-13-14(33)12-32)31(19)22-27-20(29-4-8-34-9-5-29)26-21(28-22)30-6-10-35-11-7-30/h1-3,14,18,32-33H,4-13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...				Eur J Med Chem 64: 137-47 (2013) Article DOI: 10.1016/j.ejmech.2013.03.038 BindingDB Entry DOI: 10.7270/Q2377B33
					More data for this Ligand-Target Pair