Found 4 hits for monomerid = 50433040 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
(Mus musculus (Mouse)) | BDBM50433040
(CHEMBL2375959 | US8633204, 308)Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wD:8.7,11.14,(67.89,-30.91,;67.89,-32.45,;66.56,-33.22,;66.56,-34.76,;65.23,-35.53,;67.9,-35.53,;69.23,-34.77,;70.56,-35.54,;70.56,-37.08,;71.89,-37.85,;71.88,-39.39,;70.54,-40.16,;69.21,-39.38,;69.22,-37.84,;70.53,-41.7,;69.19,-42.46,;67.86,-41.68,;66.52,-42.44,;67.87,-40.14,;71.91,-34.77,;73.24,-35.54,;71.91,-33.21,;70.57,-32.43,;69.23,-33.21,;73.25,-32.46,;74.59,-33.23,;75.92,-32.47,;75.92,-30.93,;77.25,-30.16,;77.25,-28.62,;75.91,-27.85,;74.59,-28.62,;74.58,-30.15,;73.25,-30.92,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mouse PI3Kalpha |
Bioorg Med Chem Lett 23: 2787-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50433040
(CHEMBL2375959 | US8633204, 308)Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wD:8.7,11.14,(67.89,-30.91,;67.89,-32.45,;66.56,-33.22,;66.56,-34.76,;65.23,-35.53,;67.9,-35.53,;69.23,-34.77,;70.56,-35.54,;70.56,-37.08,;71.89,-37.85,;71.88,-39.39,;70.54,-40.16,;69.21,-39.38,;69.22,-37.84,;70.53,-41.7,;69.19,-42.46,;67.86,-41.68,;66.52,-42.44,;67.87,-40.14,;71.91,-34.77,;73.24,-35.54,;71.91,-33.21,;70.57,-32.43,;69.23,-33.21,;73.25,-32.46,;74.59,-33.23,;75.92,-32.47,;75.92,-30.93,;77.25,-30.16,;77.25,-28.62,;75.91,-27.85,;74.59,-28.62,;74.58,-30.15,;73.25,-30.92,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) |
Bioorg Med Chem Lett 23: 2787-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50433040
(CHEMBL2375959 | US8633204, 308)Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wD:8.7,11.14,(67.89,-30.91,;67.89,-32.45,;66.56,-33.22,;66.56,-34.76,;65.23,-35.53,;67.9,-35.53,;69.23,-34.77,;70.56,-35.54,;70.56,-37.08,;71.89,-37.85,;71.88,-39.39,;70.54,-40.16,;69.21,-39.38,;69.22,-37.84,;70.53,-41.7,;69.19,-42.46,;67.86,-41.68,;66.52,-42.44,;67.87,-40.14,;71.91,-34.77,;73.24,-35.54,;71.91,-33.21,;70.57,-32.43,;69.23,-33.21,;73.25,-32.46,;74.59,-33.23,;75.92,-32.47,;75.92,-30.93,;77.25,-30.16,;77.25,-28.62,;75.91,-27.85,;74.59,-28.62,;74.58,-30.15,;73.25,-30.92,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 17.7 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer Inc.
US Patent
| Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in... |
US Patent US8633204 (2014)
BindingDB Entry DOI: 10.7270/Q2Q81BQT |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50433040
(CHEMBL2375959 | US8633204, 308)Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wD:8.7,11.14,(67.89,-30.91,;67.89,-32.45,;66.56,-33.22,;66.56,-34.76,;65.23,-35.53,;67.9,-35.53,;69.23,-34.77,;70.56,-35.54,;70.56,-37.08,;71.89,-37.85,;71.88,-39.39,;70.54,-40.16,;69.21,-39.38,;69.22,-37.84,;70.53,-41.7,;69.19,-42.46,;67.86,-41.68,;66.52,-42.44,;67.87,-40.14,;71.91,-34.77,;73.24,-35.54,;71.91,-33.21,;70.57,-32.43,;69.23,-33.21,;73.25,-32.46,;74.59,-33.23,;75.92,-32.47,;75.92,-30.93,;77.25,-30.16,;77.25,-28.62,;75.91,-27.85,;74.59,-28.62,;74.58,-30.15,;73.25,-30.92,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells |
Bioorg Med Chem Lett 23: 2787-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X |
More data for this Ligand-Target Pair | |