BDBM50419764 CHEMBL1949922
SMILES: CCNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl
InChI Key: InChIKey=YXSLRNXUGAGODX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50419764 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 alpha isoform
(Homo sapiens (Human)) | BDBM50419764
(CHEMBL1949922)Show SMILES CCNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C23H21ClN2O3S/c1-3-25-22(27)15-8-9-16-19(12-15)29-11-10-14-13-20(30-21(14)16)23(28)26(2)18-7-5-4-6-17(18)24/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay |
J Med Chem 54: 7815-33 (2011)
Article DOI: 10.1021/jm2007084 BindingDB Entry DOI: 10.7270/Q2057GCQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50419764
(CHEMBL1949922)Show SMILES CCNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C23H21ClN2O3S/c1-3-25-22(27)15-8-9-16-19(12-15)29-11-10-14-13-20(30-21(14)16)23(28)26(2)18-7-5-4-6-17(18)24/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay |
J Med Chem 54: 7815-33 (2011)
Article DOI: 10.1021/jm2007084 BindingDB Entry DOI: 10.7270/Q2057GCQ |
More data for this Ligand-Target Pair | |