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BDBM50375350 CHEMBL263631

SMILES: CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O

InChI Key: InChIKey=IGGDISXTOKWITA-UHFFFAOYSA-N

Data: 2 Kd  4 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 6 hits for monomerid = 50375350   
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))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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PC sid
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n/an/an/an/a 421n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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n/an/an/an/a 8.40n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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n/an/an/an/a 128n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
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n/an/an/a 18.4n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRbeta receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
PDB
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PC sid
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Article
PubMed
n/an/an/a 17n/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]T3 from human TRalpha receptor


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50375350
PNG
(CHEMBL263631)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O
Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay


Bioorg Med Chem 16: 762-70 (2008)


Article DOI: 10.1016/j.bmc.2007.10.040
BindingDB Entry DOI: 10.7270/Q2RR2034
More data for this
Ligand-Target Pair