BDBM50506344 CHEMBL4518196

SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1

InChI Key: InChIKey=LAKNCFVOLBSBLJ-KRWDZBQOSA-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 = 50506344   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50506344 (CHEMBL4518196) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m0/s1	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	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 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))	BDBM50506344 (CHEMBL4518196) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m0/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	32	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))	BDBM50506344 (CHEMBL4518196) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m0/s1	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
p110β/p85α (Homo sapiens (Human))	BDBM50506344 (CHEMBL4518196) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m0/s1	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
p110α/p85α (Homo sapiens (Human))	BDBM50506344 (CHEMBL4518196) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	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