BDBM50419767 CHEMBL1949925
SMILES: CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)-c1cccc(CC(O)=O)c1)c1ccccc1Cl
InChI Key: InChIKey=IPZWQWPYSINDFL-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50419767 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)) | BDBM50419767
(CHEMBL1949925)Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)-c1cccc(CC(O)=O)c1)c1ccccc1Cl Show InChI InChI=1S/C28H22ClNO4S/c1-30(23-8-3-2-7-22(23)29)28(33)25-16-20-11-12-34-24-15-19(9-10-21(24)27(20)35-25)18-6-4-5-17(13-18)14-26(31)32/h2-10,13,15-16H,11-12,14H2,1H3,(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | 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)) | BDBM50419767
(CHEMBL1949925)Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)-c1cccc(CC(O)=O)c1)c1ccccc1Cl Show InChI InChI=1S/C28H22ClNO4S/c1-30(23-8-3-2-7-22(23)29)28(33)25-16-20-11-12-34-24-15-19(9-10-21(24)27(20)35-25)18-6-4-5-17(13-18)14-26(31)32/h2-10,13,15-16H,11-12,14H2,1H3,(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90E+3 | 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 | |