BDBM138364 US10278929, Compound 12::US8877795, 12
SMILES: FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1
InChI Key: InChIKey=NGJLOFCOEOHFKQ-YVMONPNESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human)) | BDBM138364 (US10278929, Compound 12 | US8877795, 12) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University Curated by ChEMBL | Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi... | Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM138364 (US10278929, Compound 12 | US8877795, 12) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 815 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck | Assay Description The FP assay was then adapted for HTS and used to screen a ˜120,000 member small molecule library for compounds that displaced the FP probe from the ... | Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM138364 (US10278929, Compound 12 | US8877795, 12) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of human recombinant full length His-tagged PIM-1 expressed in baculovirus expression system | J Med Chem 60: 2853-2868 (2017) Article DOI: 10.1021/acs.jmedchem.6b01774 BindingDB Entry DOI: 10.7270/Q2K35WXP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM138364 (US10278929, Compound 12 | US8877795, 12) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 815 | n/a | n/a | n/a | n/a | n/a | n/a |
The Board of Trustees of the Leland Stanford Junior University US Patent | Assay Description The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ... | US Patent US8877795 (2014) BindingDB Entry DOI: 10.7270/Q2HT2N1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human)) | BDBM138364 (US10278929, Compound 12 | US8877795, 12) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 6.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University Curated by ChEMBL | Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi... | Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C | |||||||||||
More data for this Ligand-Target Pair |