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BDBM43091 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester::2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester::MLS000697082::SMR000237894::cid_4625720::ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate::ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

SMILES: CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O

InChI Key: InChIKey=PFUIZHAZQWAOBU-ATJXCDBQSA-N

Data: 6 IC50  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 9 hits for monomerid = 43091   
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
NCOA2 protein


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/an/an/a 7.96E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/an/an/a 1.13E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/an/an/a 1.43E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 1.18E+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)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 5.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 2.06E+3n/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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 1.64E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 2.77E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 4.97E+3n/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)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair