Found 6 hits for monomerid = 50394164 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 |
|---|
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma using diC8-tagged PIP2 as substrate after 30 to 60 mins by TAMRA-based fluorescence polarization assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha using diC8-tagged PIP2 as substrate after 30 to 60 mins by TAMRA-based fluorescence polarization assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
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