BDBM50402044 CHEMBL2205423
SMILES: CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cn[nH]c3)n2)c(=O)c1=O
InChI Key: InChIKey=FRNPTMFJLAHUDE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50402044 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)) | BDBM50402044
(CHEMBL2205423)Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cn[nH]c3)n2)c(=O)c1=O Show InChI InChI=1S/C21H21N7O2/c1-21(2,3)28-17-16(18(29)19(17)30)26-15-8-9-22-20(27-15)25-14-6-4-12(5-7-14)13-10-23-24-11-13/h4-11,28H,1-3H3,(H,23,24)(H2,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | 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)) | BDBM50402044
(CHEMBL2205423)Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cn[nH]c3)n2)c(=O)c1=O Show InChI InChI=1S/C21H21N7O2/c1-21(2,3)28-17-16(18(29)19(17)30)26-15-8-9-22-20(27-15)25-14-6-4-12(5-7-14)13-10-23-24-11-13/h4-11,28H,1-3H3,(H,23,24)(H2,22,25,26,27) | 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 | n/a | n/a | 1.61E+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 | |