BindingDB logo
myBDB logout

null

SMILES: CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O

InChI Key: InChIKey=KQSGCLVFDFNDIM-UHFFFAOYSA-N

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 = 50448468   
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 alpha


(Homo sapiens (Human))
BDBM50448468
PNG
(CHEMBL3126378)
Show SMILES CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(8-9-19(17)25)12-24-14(3)21(22(28)23-11-20(26)27)16-6-4-5-7-18(16)24/h4-10,13,25H,11-12H2,1-3H3,(H,23,28)(H,26,27)
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>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50448468
PNG
(CHEMBL3126378)
Show SMILES CC(C)c1cc(Cn2c(C)c(C(=O)NCC(O)=O)c3ccccc23)ccc1O
Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(8-9-19(17)25)12-24-14(3)21(22(28)23-11-20(26)27)16-6-4-5-7-18(16)24/h4-10,13,25H,11-12H2,1-3H3,(H,23,28)(H,26,27)
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 1.10E+3n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting


Bioorg Med Chem 22: 488-98 (2013)


Article DOI: 10.1016/j.bmc.2013.11.001
BindingDB Entry DOI: 10.7270/Q2H41SXN
More data for this
Ligand-Target Pair