null
SMILES: NCCc1ccc(O)c(c1)C1CCCCC1
InChI Key: InChIKey=DOCCSEDGBYCYLS-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human)) | BDBM50372980 (CHEMBL404150) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 min... | Eur J Med Chem 175: 107-113 (2019) Article DOI: 10.1016/j.ejmech.2019.04.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50372980 (CHEMBL404150) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Curated by ChEMBL | Assay Description Binding affinity to BACE1 by surface plasmon resonance method | Bioorg Med Chem Lett 18: 1304-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.032 BindingDB Entry DOI: 10.7270/Q2Z60PW9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |