BDBM50036421 (S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1,6-dihydro-pyridazin-3-ylmethyl)-phenoxy]-phenyl}-propionic acid::2-Ammonio-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1,6-dihydro-pyridazin-3-ylmethyl)-phenoxy]-phenyl}-propionic acid anion::CHEMBL163228
SMILES: N[C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]n3)c2)c(Br)c1)C(O)=O
InChI Key: InChIKey=BPCRJQJRJFLQHV-INIZCTEOSA-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 alpha (Homo sapiens (Human)) | BDBM50036421 ((S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting | Bioorg Med Chem 21: 592-607 (2013) Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM50036421 ((S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting | Bioorg Med Chem 21: 592-607 (2013) Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
thyroid beta (RAT) | BDBM50036421 ((S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 48 | 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) | BDBM50036421 ((S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 1.00E+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 |