BDBM50274639 CHEMBL4128230::US10858355, Example 18

SMILES: COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C

InChI Key: InChIKey=OWTOSKMKJXQHMU-ZDUSSCGKSA-N

Data: 6 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 6 hits for monomerid = 50274639   

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))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/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 Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...				US Patent US10858355 (2020)
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair