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BDBM31737 2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2-furyl]benzoic acid::2-[5-[(Z)-(5,7-dimethyl-1-oxidanylidene-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid::2-[5-[(Z)-(5,7-dimethyl-1-oxo-2-thiazolo[3,2-a]benzimidazolylidene)methyl]-2-furanyl]benzoic acid::2-[5-[(Z)-(5,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid::MLS-0091943.0001::cid_5341943

SMILES: Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1

InChI Key: InChIKey=JFRYLPFKWKOMBZ-ODLFYWEKSA-N

Data: 10 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 10 hits for monomerid = 31737   
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
MKP-3


(Rattus norvegicus)
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 1.39E+4n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N87841
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 1.38E+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, CA...


PubChem Bioassay (2008)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q25H7DPX
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 8.71E+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 (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 1.80E+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)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 2.65E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 805n/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)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 680n/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)


BindingDB Entry DOI: 10.7270/Q2WW7G20
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 4.45E+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 (2012)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 6.29E+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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 5.82E+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)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair