Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50357675' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50357675
(CHEMBL1914740)Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1C[C@H]2CC[C@H](CC2)C1 |r,wD:30.39,33.37,(27.04,-36.48,;27.04,-38.02,;28.38,-38.79,;28.39,-40.33,;27.05,-41.09,;25.72,-40.34,;25.71,-38.8,;27.05,-42.63,;25.96,-43.72,;25.56,-42.23,;28.39,-43.4,;28.4,-44.94,;29.73,-45.71,;29.74,-47.26,;28.4,-48.03,;27.06,-47.26,;27.07,-45.71,;25.73,-44.94,;31.07,-48.03,;31.07,-49.57,;32.4,-50.34,;33.74,-49.57,;35.08,-50.34,;36.43,-49.56,;36.42,-47.99,;35.07,-47.23,;33.73,-48.01,;32.4,-47.25,;37.75,-47.21,;37.63,-45.67,;38.78,-44.64,;38.36,-46.12,;39.13,-47.45,;40.5,-47.6,;41.08,-46.19,;40.36,-44.9,;39.08,-48.09,)| Show InChI InChI=1S/C27H25ClFN5O2S/c28-27-25(33-37(35,36)22-8-6-21(29)7-9-22)12-20(13-31-27)19-5-10-23-24(11-19)32-26(14-30-23)34-15-17-1-2-18(16-34)4-3-17/h5-14,17-18,33H,1-4,15-16H2/t17-,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp... |
J Med Chem 54: 4735-51 (2011)
Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50357675
(CHEMBL1914740)Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1C[C@H]2CC[C@H](CC2)C1 |r,wD:30.39,33.37,(27.04,-36.48,;27.04,-38.02,;28.38,-38.79,;28.39,-40.33,;27.05,-41.09,;25.72,-40.34,;25.71,-38.8,;27.05,-42.63,;25.96,-43.72,;25.56,-42.23,;28.39,-43.4,;28.4,-44.94,;29.73,-45.71,;29.74,-47.26,;28.4,-48.03,;27.06,-47.26,;27.07,-45.71,;25.73,-44.94,;31.07,-48.03,;31.07,-49.57,;32.4,-50.34,;33.74,-49.57,;35.08,-50.34,;36.43,-49.56,;36.42,-47.99,;35.07,-47.23,;33.73,-48.01,;32.4,-47.25,;37.75,-47.21,;37.63,-45.67,;38.78,-44.64,;38.36,-46.12,;39.13,-47.45,;40.5,-47.6,;41.08,-46.19,;40.36,-44.9,;39.08,-48.09,)| Show InChI InChI=1S/C27H25ClFN5O2S/c28-27-25(33-37(35,36)22-8-6-21(29)7-9-22)12-20(13-31-27)19-5-10-23-24(11-19)32-26(14-30-23)34-15-17-1-2-18(16-34)4-3-17/h5-14,17-18,33H,1-4,15-16H2/t17-,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells |
J Med Chem 54: 4735-51 (2011)
Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5 |
More data for this Ligand-Target Pair | |