BDBM25077 6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-{2-[4-(trifluoromethyl)phenyl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one::benzo[1,4]oxazin-3-one, 10s
SMILES: FC(F)(F)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
InChI Key: InChIKey=YUQBXATVVVPFPH-YVLHZVERSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 25077 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)) | BDBM25077
(6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-y...)Show SMILES FC(F)(F)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1 Show InChI InChI=1S/C21H15F3N2O3S2/c22-21(23,24)14-4-1-12(2-5-14)7-8-26-15-9-13(3-6-16(15)29-11-18(26)27)10-17-19(28)25-20(30)31-17/h1-6,9-10H,7-8,11H2,(H,25,28,30)/b17-10- | 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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate |
Eur J Med Chem 84: 454-65 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.056 BindingDB Entry DOI: 10.7270/Q2057HM8 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5
(Homo sapiens (Human)) | BDBM25077
(6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-y...)Show SMILES FC(F)(F)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1 Show InChI InChI=1S/C21H15F3N2O3S2/c22-21(23,24)14-4-1-12(2-5-14)7-8-26-15-9-13(3-6-16(15)29-11-18(26)27)10-17-19(28)25-20(30)31-17/h1-6,9-10H,7-8,11H2,(H,25,28,30)/b17-10- | 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 | 1.92 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepa... |
Bioorg Med Chem Lett 17: 756-60 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.080 BindingDB Entry DOI: 10.7270/Q2NS0S6N |
More data for this Ligand-Target Pair | |