BDBM50348545 CHEMBL1801384
SMILES: O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
InChI Key: InChIKey=CZJALLIMKKSCNX-FNORWQNLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50348545 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 9
(Homo sapiens (Human)) | BDBM50348545
(CHEMBL1801384)Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12 Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-8-6-20-16-29-21(15-23(20)26(22)30-24(25)9-10-28-27)7-5-18-1-3-19(4-2-18)17-31-11-13-33-14-12-31/h1-8,15-16,30H,9-14,17H2,(H,28,32)/b7-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of JNK2 |
Bioorg Med Chem Lett 20: 4715-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN |
More data for this Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50348545
(CHEMBL1801384)Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12 Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-8-6-20-16-29-21(15-23(20)26(22)30-24(25)9-10-28-27)7-5-18-1-3-19(4-2-18)17-31-11-13-33-14-12-31/h1-8,15-16,30H,9-14,17H2,(H,28,32)/b7-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay |
Bioorg Med Chem Lett 20: 4715-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN |
More data for this Ligand-Target Pair | |