BDBM50506339 CHEMBL4467351

SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1

InChI Key: InChIKey=FWSGJUFPPIXYSZ-MUJYYYPQSA-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 = 50506339   

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))	BDBM50506339 (CHEMBL4467351) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)7-23(28)26-21-9-17(8-19-12-32-13-20(19)21)18-10-22(27-34(4,29)30)24(31-3)25-11-18/h8-11,14-16,27H,5-7,12-13H2,1-4H3,(H,26,28)/t14-,15+,16-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+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))	BDBM50506339 (CHEMBL4467351) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)7-23(28)26-21-9-17(8-19-12-32-13-20(19)21)18-10-22(27-34(4,29)30)24(31-3)25-11-18/h8-11,14-16,27H,5-7,12-13H2,1-4H3,(H,26,28)/t14-,15+,16-	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	6.31E+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
p110α/p85α (Homo sapiens (Human))	BDBM50506339 (CHEMBL4467351) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)7-23(28)26-21-9-17(8-19-12-32-13-20(19)21)18-10-22(27-34(4,29)30)24(31-3)25-11-18/h8-11,14-16,27H,5-7,12-13H2,1-4H3,(H,26,28)/t14-,15+,16-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50506339 (CHEMBL4467351) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)7-23(28)26-21-9-17(8-19-12-32-13-20(19)21)18-10-22(27-34(4,29)30)24(31-3)25-11-18/h8-11,14-16,27H,5-7,12-13H2,1-4H3,(H,26,28)/t14-,15+,16-	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	50	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))	BDBM50506339 (CHEMBL4467351) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)7-23(28)26-21-9-17(8-19-12-32-13-20(19)21)18-10-22(27-34(4,29)30)24(31-3)25-11-18/h8-11,14-16,27H,5-7,12-13H2,1-4H3,(H,26,28)/t14-,15+,16-	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	501	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