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BDBM46207 4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid::4-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid::4-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid::4-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid::MLS-0383777.0001::cid_1328767

SMILES: OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1

InChI Key: InChIKey=HBNOSXCFGXWLCL-UHFFFAOYSA-N

Data: 9 IC50

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 = 46207   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 274n/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 3.63E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 3.35E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 1.88E+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 (2009)

More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 1.52E+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, La Jolla, CA...


Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 227n/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 6.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 6.07E+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, La Jolla, CA...


Citation and Details
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 7.67E+4n/an/an/an/an/an/a



Sanford-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 (2009)

More data for this
Ligand-Target Pair