BDBM50506341 CHEMBL4445958

SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1

InChI Key: InChIKey=SAOWUAJTUYXEDU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50506341   

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))	BDBM50506341 (CHEMBL4445958) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H36N4O5S/c1-25(2,30)20-5-8-29(9-6-20)10-7-26-22-12-17(11-19-15-34-16-21(19)22)18-13-23(28-35(4,31)32)24(33-3)27-14-18/h11-14,20,26,28,30H,5-10,15-16H2,1-4H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50506341 (CHEMBL4445958) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H36N4O5S/c1-25(2,30)20-5-8-29(9-6-20)10-7-26-22-12-17(11-19-15-34-16-21(19)22)18-13-23(28-35(4,31)32)24(33-3)27-14-18/h11-14,20,26,28,30H,5-10,15-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p120gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50506341 (CHEMBL4445958) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H36N4O5S/c1-25(2,30)20-5-8-29(9-6-20)10-7-26-22-12-17(11-19-15-34-16-21(19)22)18-13-23(28-35(4,31)32)24(33-3)27-14-18/h11-14,20,26,28,30H,5-10,15-16H2,1-4H3	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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506341 (CHEMBL4445958) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H36N4O5S/c1-25(2,30)20-5-8-29(9-6-20)10-7-26-22-12-17(11-19-15-34-16-21(19)22)18-13-23(28-35(4,31)32)24(33-3)27-14-18/h11-14,20,26,28,30H,5-10,15-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50506341 (CHEMBL4445958) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H36N4O5S/c1-25(2,30)20-5-8-29(9-6-20)10-7-26-22-12-17(11-19-15-34-16-21(19)22)18-13-23(28-35(4,31)32)24(33-3)27-14-18/h11-14,20,26,28,30H,5-10,15-16H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110alpha/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585
					More data for this Ligand-Target Pair