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BDBM50304779 2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenoxy)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione::CHEMBL596350

SMILES: Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=VQOQTSKXKNWJJY-UHFFFAOYSA-N

Data: 2 KI

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 = 50304779   
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))
BDBM50304779
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/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))
BDBM50304779
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/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