BDBM50419765 CHEMBL1949923
SMILES: CNCc1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl
InChI Key: InChIKey=QMGNUWHIFFIHFR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50419765 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)) | BDBM50419765
(CHEMBL1949923)Show SMILES CNCc1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C22H21ClN2O2S/c1-24-13-14-7-8-16-19(11-14)27-10-9-15-12-20(28-21(15)16)22(26)25(2)18-6-4-3-5-17(18)23/h3-8,11-12,24H,9-10,13H2,1-2H3 | 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)) | BDBM50419765
(CHEMBL1949923)Show SMILES CNCc1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C22H21ClN2O2S/c1-24-13-14-7-8-16-19(11-14)27-10-9-15-12-20(28-21(15)16)22(26)25(2)18-6-4-3-5-17(18)23/h3-8,11-12,24H,9-10,13H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | 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 | |