null
SMILES: CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc12
InChI Key: InChIKey=MJCBPVVQRZZEGT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50402045 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 |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50402045
(CHEMBL2205422)Show SMILES CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc12 Show InChI InChI=1S/C22H24N6O3/c1-12(29)28-10-8-13-11-14(5-6-15(13)28)24-21-23-9-7-16(26-21)25-17-18(20(31)19(17)30)27-22(2,3)4/h5-7,9,11,27H,8,10H2,1-4H3,(H2,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay |
Bioorg Med Chem Lett 22: 7615-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.009 BindingDB Entry DOI: 10.7270/Q2XK8GQ3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50402045
(CHEMBL2205422)Show SMILES CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc12 Show InChI InChI=1S/C22H24N6O3/c1-12(29)28-10-8-13-11-14(5-6-15(13)28)24-21-23-9-7-16(26-21)25-17-18(20(31)19(17)30)27-22(2,3)4/h5-7,9,11,27H,8,10H2,1-4H3,(H2,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay |
Bioorg Med Chem Lett 22: 7615-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.009 BindingDB Entry DOI: 10.7270/Q2XK8GQ3 |
More data for this Ligand-Target Pair | |