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BDBM50455402 CHEMBL4204689

SMILES: CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1

InChI Key: InChIKey=ZKABDOARRBOORN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50455402   
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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50455402
PNG
(CHEMBL4204689)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-8-4-14(5-9-16)12-13-20-18(22)15-6-10-17(21)11-7-15/h4-11,21H,12-13H2,1-3H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 700n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 458 residues) expressed in Escherichia coli BL21 gold (DE3) cells asse...


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Estrogen-related receptor beta


(Homo sapiens (Human))
BDBM50455402
PNG
(CHEMBL4204689)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-8-4-14(5-9-16)12-13-20-18(22)15-6-10-17(21)11-7-15/h4-11,21H,12-13H2,1-3H3,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 90n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50455402
PNG
(CHEMBL4204689)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-8-4-14(5-9-16)12-13-20-18(22)15-6-10-17(21)11-7-15/h4-11,21H,12-13H2,1-3H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.70E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Gal4 fused ERRgamma-LBD (unknown origin) expressed in HEK293T cells after 20 hrs by UAS-luciferase reporter gene assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair