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BDBM37040 3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-benzamide::3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide::3-chloro-N-(5-chloro-2-pyridyl)-4-ethoxy-benzamide::3-chloro-N-(5-chloropyridin-2-yl)-4-ethoxybenzamide::MLS000089749::SMR000024367::cid_3237354

SMILES: CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=RBIAGCKCFJYTQH-UHFFFAOYSA-N

Data: 3 IC50  4 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 7 hits for monomerid = 37040   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
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n/an/an/an/a 4.76E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
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n/an/an/an/a>9.51E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
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n/an/an/an/a 5.52E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
KEGG

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n/an/an/an/a>5.30E+4n/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 (2012)


Article DOI: 10.1038/nchembio.2085
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
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UniChem
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n/an/a>7.94E+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 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
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n/an/a>7.94E+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, ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM37040
PNG
(3-chloranyl-N-(5-chloranylpyridin-2-yl)-4-ethoxy-b...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
More data for this
Ligand-Target Pair