BDBM50036402 CHEMBL46882::N-[3,5-dimethyl-4-(4'-hydroxy-3'-isopropylphenoxy)phenyl]oxamic acid::N-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-oxalamic acid
SMILES: CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
InChI Key: InChIKey=UOJMJBUYXYEPFX-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM50036402 (CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc. Curated by ChEMBL | Assay Description Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay | J Med Chem 51: 7075-93 (2009) Article DOI: 10.1021/jm800824d BindingDB Entry DOI: 10.7270/Q21V5DT5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid hormone receptor alpha (Homo sapiens (Human)) | BDBM50036402 (CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc. Curated by ChEMBL | Assay Description Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay | J Med Chem 51: 7075-93 (2009) Article DOI: 10.1021/jm800824d BindingDB Entry DOI: 10.7270/Q21V5DT5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
thyroid beta (RAT) | BDBM50036402 (CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Ciba Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor | J Med Chem 38: 695-707 (1995) BindingDB Entry DOI: 10.7270/Q2T43TRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
thyroid beta (RAT) | BDBM50036402 (CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ciba Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptor | J Med Chem 38: 695-707 (1995) BindingDB Entry DOI: 10.7270/Q2T43TRC | |||||||||||
More data for this Ligand-Target Pair |