null
SMILES: CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O
InChI Key: InChIKey=NRGCVZHEQBOONX-IBGZPJMESA-N
PDB links: 1 PDB ID matches this monomer.
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 kinase kinase 5 (Homo sapiens (Human)) | BDBM50212261 (CHEMBL3946139) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... | ACS Med Chem Lett 8: 316-320 (2017) Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human)) | BDBM50212261 (CHEMBL3946139) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... | ACS Med Chem Lett 8: 316-320 (2017) Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |