BDBM50451214 CHEMBL4206569

SMILES: COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)NS(C)(=O)=O

InChI Key: InChIKey=VWQDLBTXNFBSBK-CYBMUJFWSA-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 = 50451214   

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))	BDBM50451214 (CHEMBL4206569) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)NS(C)(=O)=O |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)24-18(17(22)23)31(14)21-26-19(29-8-10-35-11-9-29)25-20(27-21)30-7-6-13(12-30)28-36(2,32)33/h3-5,13,17,28H,6-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50451214 (CHEMBL4206569) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)NS(C)(=O)=O |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)24-18(17(22)23)31(14)21-26-19(29-8-10-35-11-9-29)25-20(27-21)30-7-6-13(12-30)28-36(2,32)33/h3-5,13,17,28H,6-12H2,1-2H3/t13-/m1/s1	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	57	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
p110β/p85α (Homo sapiens (Human))	BDBM50451214 (CHEMBL4206569) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)NS(C)(=O)=O |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)24-18(17(22)23)31(14)21-26-19(29-8-10-35-11-9-29)25-20(27-21)30-7-6-13(12-30)28-36(2,32)33/h3-5,13,17,28H,6-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	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