Found 4 hits for monomerid = 50394180 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)) | BDBM50394180
(CHEMBL2158855)Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-12-16-4-5-17(13-27)30-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | 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 mTOR
(Homo sapiens (Human)) | BDBM50394180
(CHEMBL2158855)Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-12-16-4-5-17(13-27)30-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26) | 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 | 200 | 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 | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394180
(CHEMBL2158855)Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-12-16-4-5-17(13-27)30-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | 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)) | BDBM50394180
(CHEMBL2158855)Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-12-16-4-5-17(13-27)30-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26) | 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 | 21 | 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 | |