BDBM50451238 CHEMBL4207299

SMILES: CNS(=O)(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1

InChI Key: InChIKey=YSDIAJKIDFRXTJ-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 = 50451238   

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))	BDBM50451238 (CHEMBL4207299) Show SMILES CNS(=O)(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-25-37(33,34)14-6-8-30(9-7-14)20-27-21(31-10-12-36-13-11-31)29-22(28-20)32-15-4-3-5-16(35-2)17(15)26-19(32)18(23)24/h3-5,14,18,25H,6-13H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110beta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50451238 (CHEMBL4207299) Show SMILES CNS(=O)(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-25-37(33,34)14-6-8-30(9-7-14)20-27-21(31-10-12-36-13-11-31)29-22(28-20)32-15-4-3-5-16(35-2)17(15)26-19(32)18(23)24/h3-5,14,18,25H,6-13H2,1-2H3	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	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50451238 (CHEMBL4207299) Show SMILES CNS(=O)(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-25-37(33,34)14-6-8-30(9-7-14)20-27-21(31-10-12-36-13-11-31)29-22(28-20)32-15-4-3-5-16(35-2)17(15)26-19(32)18(23)24/h3-5,14,18,25H,6-13H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair