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BDBM50123049 2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbonyl)phenoxy)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione::2-{3,5-Dichloro-4-[4-hydroxy-3-(piperidine-1-carbonyl)-phenoxy]-phenyl}-2H-[1,2,4]triazine-3,5-dione::CHEMBL125242

SMILES: Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1

InChI Key: InChIKey=KQTUYIZQBZEKGQ-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50123049   
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 (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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PubMed
0.630n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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n/an/a 1.74n/an/an/an/an/an/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 (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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n/an/a 5.25n/an/an/an/an/an/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