BDBM50245498 CHEMBL4083562
SMILES: CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
InChI Key: InChIKey=ZOJDZQWISFZXHI-UHFFFAOYSA-N
Data: 1 IC50
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 |
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Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human)) | BDBM50245498 (CHEMBL4083562) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University Curated by ChEMBL | Assay Description Inhibition of recombinant human ASK1 using STK3 peptide as substrate incubated for 30 mins followed by ATP addition measured for 3 hrs by TR-FRET ass... | J Med Chem 60: 527-553 (2017) Article DOI: 10.1021/acs.jmedchem.6b00935 BindingDB Entry DOI: 10.7270/Q29C70V2 | |||||||||||
More data for this Ligand-Target Pair |