Found 4 hits for monomerid = 50433039 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 (PI3K alpha)
(Mus musculus (Mouse)) | BDBM50433039
(CHEMBL2375958 | US8633204, 309)Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wU:22.27,wD:19.20,(13.86,-44.58,;12.52,-43.81,;11.19,-44.58,;9.85,-43.81,;8.52,-44.58,;8.52,-46.11,;9.85,-46.88,;11.18,-46.12,;7.18,-46.87,;5.83,-46.08,;4.49,-46.86,;3.16,-46.1,;3.16,-44.56,;1.83,-46.87,;1.83,-48.41,;.5,-49.18,;3.16,-49.18,;4.49,-48.42,;5.83,-49.19,;5.82,-50.73,;4.48,-51.49,;4.48,-53.02,;5.8,-53.81,;7.14,-53.04,;7.15,-51.5,;5.79,-55.34,;4.45,-56.11,;3.13,-55.33,;1.79,-56.09,;3.14,-53.79,;7.18,-48.42,;8.51,-49.19,)| Show InChI InChI=1S/C22H26N6O4/c1-12-16-9-17(13-3-8-19(31-2)25-10-13)21(30)28(20(16)27-22(24)26-12)14-4-6-15(7-5-14)32-11-18(23)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H2,23,29)(H2,24,26,27)/t14-,15- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | 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)) | BDBM50433039
(CHEMBL2375958 | US8633204, 309)Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wU:22.27,wD:19.20,(13.86,-44.58,;12.52,-43.81,;11.19,-44.58,;9.85,-43.81,;8.52,-44.58,;8.52,-46.11,;9.85,-46.88,;11.18,-46.12,;7.18,-46.87,;5.83,-46.08,;4.49,-46.86,;3.16,-46.1,;3.16,-44.56,;1.83,-46.87,;1.83,-48.41,;.5,-49.18,;3.16,-49.18,;4.49,-48.42,;5.83,-49.19,;5.82,-50.73,;4.48,-51.49,;4.48,-53.02,;5.8,-53.81,;7.14,-53.04,;7.15,-51.5,;5.79,-55.34,;4.45,-56.11,;3.13,-55.33,;1.79,-56.09,;3.14,-53.79,;7.18,-48.42,;8.51,-49.19,)| Show InChI InChI=1S/C22H26N6O4/c1-12-16-9-17(13-3-8-19(31-2)25-10-13)21(30)28(20(16)27-22(24)26-12)14-4-6-15(7-5-14)32-11-18(23)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H2,23,29)(H2,24,26,27)/t14-,15- | 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 |
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)) | BDBM50433039
(CHEMBL2375958 | US8633204, 309)Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wU:22.27,wD:19.20,(13.86,-44.58,;12.52,-43.81,;11.19,-44.58,;9.85,-43.81,;8.52,-44.58,;8.52,-46.11,;9.85,-46.88,;11.18,-46.12,;7.18,-46.87,;5.83,-46.08,;4.49,-46.86,;3.16,-46.1,;3.16,-44.56,;1.83,-46.87,;1.83,-48.41,;.5,-49.18,;3.16,-49.18,;4.49,-48.42,;5.83,-49.19,;5.82,-50.73,;4.48,-51.49,;4.48,-53.02,;5.8,-53.81,;7.14,-53.04,;7.15,-51.5,;5.79,-55.34,;4.45,-56.11,;3.13,-55.33,;1.79,-56.09,;3.14,-53.79,;7.18,-48.42,;8.51,-49.19,)| Show InChI InChI=1S/C22H26N6O4/c1-12-16-9-17(13-3-8-19(31-2)25-10-13)21(30)28(20(16)27-22(24)26-12)14-4-6-15(7-5-14)32-11-18(23)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H2,23,29)(H2,24,26,27)/t14-,15- | 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 | 5.79 | 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)) | BDBM50433039
(CHEMBL2375958 | US8633204, 309)Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wU:22.27,wD:19.20,(13.86,-44.58,;12.52,-43.81,;11.19,-44.58,;9.85,-43.81,;8.52,-44.58,;8.52,-46.11,;9.85,-46.88,;11.18,-46.12,;7.18,-46.87,;5.83,-46.08,;4.49,-46.86,;3.16,-46.1,;3.16,-44.56,;1.83,-46.87,;1.83,-48.41,;.5,-49.18,;3.16,-49.18,;4.49,-48.42,;5.83,-49.19,;5.82,-50.73,;4.48,-51.49,;4.48,-53.02,;5.8,-53.81,;7.14,-53.04,;7.15,-51.5,;5.79,-55.34,;4.45,-56.11,;3.13,-55.33,;1.79,-56.09,;3.14,-53.79,;7.18,-48.42,;8.51,-49.19,)| Show InChI InChI=1S/C22H26N6O4/c1-12-16-9-17(13-3-8-19(31-2)25-10-13)21(30)28(20(16)27-22(24)26-12)14-4-6-15(7-5-14)32-11-18(23)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H2,23,29)(H2,24,26,27)/t14-,15- | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | 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 | |
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