BindingDB logo
myBDB logout

null

SMILES: CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C

InChI Key: InChIKey=DJIRXGKRSAVJEZ-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 5 hits for monomerid = 39914   
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 receptor


(Homo sapiens (Human))
BDBM39914
PNG
(2-(4-chloro-2-methyl-phenoxy)acetic acid [2-(dimet...)
Show SMILES CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
Show InChI InChI=1S/C14H18ClNO4/c1-9-7-11(15)5-6-12(9)19-8-13(17)20-10(2)14(18)16(3)4/h5-7,10H,8H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 3.70E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM39914
PNG
(2-(4-chloro-2-methyl-phenoxy)acetic acid [2-(dimet...)
Show SMILES CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
Show InChI InChI=1S/C14H18ClNO4/c1-9-7-11(15)5-6-12(9)19-8-13(17)20-10(2)14(18)16(3)4/h5-7,10H,8H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM39914
PNG
(2-(4-chloro-2-methyl-phenoxy)acetic acid [2-(dimet...)
Show SMILES CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
Show InChI InChI=1S/C14H18ClNO4/c1-9-7-11(15)5-6-12(9)19-8-13(17)20-10(2)14(18)16(3)4/h5-7,10H,8H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM39914
PNG
(2-(4-chloro-2-methyl-phenoxy)acetic acid [2-(dimet...)
Show SMILES CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
Show InChI InChI=1S/C14H18ClNO4/c1-9-7-11(15)5-6-12(9)19-8-13(17)20-10(2)14(18)16(3)4/h5-7,10H,8H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 1.67E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM39914
PNG
(2-(4-chloro-2-methyl-phenoxy)acetic acid [2-(dimet...)
Show SMILES CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
Show InChI InChI=1S/C14H18ClNO4/c1-9-7-11(15)5-6-12(9)19-8-13(17)20-10(2)14(18)16(3)4/h5-7,10H,8H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 23n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair