BDBM18916 2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-dichlorophenyl}acetic acid::4-amido bioisosteric ligand, 12c
SMILES: CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
InChI Key: InChIKey=MXHYBOCRTUHWOD-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | 7.0 | 4 |
Karo Bio AB | Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. | Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Insubria Curated by ChEMBL | Assay Description Inhibition of human thyroid hormone receptor beta 1 | Bioorg Med Chem 15: 5251-61 (2007) Article DOI: 10.1016/j.bmc.2007.05.016 BindingDB Entry DOI: 10.7270/Q2PK0HD8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thyroid hormone receptor beta (Homo sapiens (Human)) | BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | 7.0 | 4 |
Karo Bio AB | Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. | Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM | |||||||||||
More data for this Ligand-Target Pair |