null
SMILES: COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
InChI Key: InChIKey=SHQNUFDSTNIIBP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358526 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 |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358526
(CHEMBL1923188)Show SMILES COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090 BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358526
(CHEMBL1923188)Show SMILES COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090 BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this Ligand-Target Pair | |