BDBM50537375 CHEMBL4547407

SMILES: COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(=O)(=O)CCN(C)C

InChI Key: InChIKey=VXJVZZVXASVKQD-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 = 50537375   

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))	BDBM50537375 (CHEMBL4547407) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(=O)(=O)CCN(C)C Show InChI InChI=1S/C25H34F2N8O4S/c1-32(2)13-16-40(36,37)34-9-7-17(8-10-34)22-29-24(33-11-14-39-15-12-33)31-25(30-22)35-18-5-4-6-19(38-3)20(18)28-23(35)21(26)27/h4-6,17,21H,7-16H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal p110beta/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assay				Bioorg Med Chem 27: 1529-1545 (2019) Article DOI: 10.1016/j.bmc.2019.02.050
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50537375 (CHEMBL4547407) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(=O)(=O)CCN(C)C Show InChI InChI=1S/C25H34F2N8O4S/c1-32(2)13-16-40(36,37)34-9-7-17(8-10-34)22-29-24(33-11-14-39-15-12-33)31-25(30-22)35-18-5-4-6-19(38-3)20(18)28-23(35)21(26)27/h4-6,17,21H,7-16H2,1-3H3	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	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...				Bioorg Med Chem 27: 1529-1545 (2019) Article DOI: 10.1016/j.bmc.2019.02.050
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50537375 (CHEMBL4547407) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(=O)(=O)CCN(C)C Show InChI InChI=1S/C25H34F2N8O4S/c1-32(2)13-16-40(36,37)34-9-7-17(8-10-34)22-29-24(33-11-14-39-15-12-33)31-25(30-22)35-18-5-4-6-19(38-3)20(18)28-23(35)21(26)27/h4-6,17,21H,7-16H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...				Bioorg Med Chem 27: 1529-1545 (2019) Article DOI: 10.1016/j.bmc.2019.02.050
					More data for this Ligand-Target Pair