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BDBM50304777 2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-dimethylphenylamino)-2-oxoacetic acid::CHEMBL608990

SMILES: Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12

InChI Key: InChIKey=CEYPDXWCYTVSDN-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 = 50304777   
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))
BDBM50304777
PNG
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12
Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/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 alpha


(Homo sapiens (Human))
BDBM50304777
PNG
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12
Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.700n/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