new BindingDB logo
myBDB logout

BDBM50123044 5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenoxy)-N-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)-2-hydroxybenzamide::5-[2,6-Dichloro-4-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-N-(6,6-dimethyl-bicyclo[3.1.1]hept-2-yl)-2-hydroxy-benzamide::CHEMBL124205

SMILES: CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O

InChI Key: InChIKey=VLJGQKSFQGNOAP-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 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 5 hits for monomerid = 50123044   
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


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0400n/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))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0600n/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))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.166n/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


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 12n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effective concentration of the compound binding towards TRalpha in E25B2 cells (agonistic activity)


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))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.112n/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