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BDBM18877 (2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetamido)-2-phenylacetic acid::N-acylated-alpha-amino acid derivative, 3g

SMILES: CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(O)=O)c3ccccc3)cc2Br)ccc1O

InChI Key: InChIKey=RTHIDWPAXBKXPV-HSZRJFAPSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18877   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM18877
PNG
((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(O)=O)c3ccccc3)cc2Br)ccc1O |r|
Show InChI InChI=1S/C25H23Br2NO5/c1-14(2)18-13-17(8-9-21(18)29)33-24-19(26)10-15(11-20(24)27)12-22(30)28-23(25(31)32)16-6-4-3-5-7-16/h3-11,13-14,23,29H,12H2,1-2H3,(H,28,30)(H,31,32)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/a 0.730n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM18877
PNG
((2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(O)=O)c3ccccc3)cc2Br)ccc1O |r|
Show InChI InChI=1S/C25H23Br2NO5/c1-14(2)18-13-17(8-9-21(18)29)33-24-19(26)10-15(11-20(24)27)12-22(30)28-23(25(31)32)16-6-4-3-5-7-16/h3-11,13-14,23,29H,12H2,1-2H3,(H,28,30)(H,31,32)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.5n/a 1.5n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...


Bioorg Med Chem Lett 17: 4131-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.049
BindingDB Entry DOI: 10.7270/Q2VT1QB6
More data for this
Ligand-Target Pair