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BDBM54414 5-Nitro-furan-2-carboxylic acid (4-chloro-benzothiazol-2-yl)-amide::MLS001204059::N-(4-chloranyl-1,3-benzothiazol-2-yl)-5-nitro-furan-2-carboxamide::N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-2-furamide::N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-2-furancarboxamide::N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide::SMR000524443::cid_958637

SMILES: [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1

InChI Key: InChIKey=JBTMPOGBTOJYHS-UHFFFAOYSA-N

Data: 6 IC50  1 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 = 54414   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/an/an/a 5.52E+3n/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/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a 1.86E+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/Q25M6443
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a>148n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a 3.29E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens)
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a 2.03E+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/Q27H1H10
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a 1.32E+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/Q23R0R8T
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a 6.18E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair