BDBM50451234 CHEMBL4208423

SMILES: COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)N(C)C)N1CCOCC1

InChI Key: InChIKey=JOBRATSASDSLNY-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 = 50451234   

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))	BDBM50451234 (CHEMBL4208423) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)N(C)C)N1CCOCC1 Show InChI InChI=1S/C22H29F2N9O4S/c1-29(2)38(34,35)32-9-7-30(8-10-32)20-26-21(31-11-13-37-14-12-31)28-22(27-20)33-15-5-4-6-16(36-3)17(15)25-19(33)18(23)24/h4-6,18H,7-14H2,1-3H3	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))	BDBM50451234 (CHEMBL4208423) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)N(C)C)N1CCOCC1 Show InChI InChI=1S/C22H29F2N9O4S/c1-29(2)38(34,35)32-9-7-30(8-10-32)20-26-21(31-11-13-37-14-12-31)28-22(27-20)33-15-5-4-6-16(36-3)17(15)25-19(33)18(23)24/h4-6,18H,7-14H2,1-3H3	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	86	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))	BDBM50451234 (CHEMBL4208423) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)N(C)C)N1CCOCC1 Show InChI InChI=1S/C22H29F2N9O4S/c1-29(2)38(34,35)32-9-7-30(8-10-32)20-26-21(31-11-13-37-14-12-31)28-22(27-20)33-15-5-4-6-16(36-3)17(15)25-19(33)18(23)24/h4-6,18H,7-14H2,1-3H3	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