BDBM304004 US10138242, Compound 91
SMILES: COc1ccc(CN2CCc3nn4CCN(Cc5cccc6ccccc56)C(=O)c4c3C2)c2ccccc12
InChI Key: InChIKey=QMGYUJCICUXMDA-UHFFFAOYSA-N
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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PEX14-PEX5 (Homo sapiens (Human)) | BDBM304004 (US10138242, Compound 91) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The assay uses two types of beads: donor beads are coupled with streptavidin, and acceptor beads are coupled with an anti His-tag antibody. Upon exci... | US Patent US10138242 (2018) BindingDB Entry DOI: 10.7270/Q2QV3PKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisomal membrane protein PEX14 (Homo sapiens (Human)) | BDBM304004 (US10138242, Compound 91) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B... | J Med Chem 63: 847-879 (2020) Article DOI: 10.1021/acs.jmedchem.9b01876 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PEX14-PEX5 (Homo sapiens (Human)) | BDBM304004 (US10138242, Compound 91) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (... | US Patent US10138242 (2018) BindingDB Entry DOI: 10.7270/Q2QV3PKS | |||||||||||
More data for this Ligand-Target Pair |