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BDBM54145 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-5-keto-valeric acid::5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-5-oxopentanoic acid::5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid::5-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-5-oxopentanoic acid::5-{[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino}-5-oxopentanoic acid::MLS000850222::SMR000456240::cid_2811901

SMILES: Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1

InChI Key: InChIKey=IUFONPOAOBCFQO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 54145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM54145
PNG
(5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]a...)
Show SMILES Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N2O3S2/c1-10-9-23-16(19-13(20)7-4-8-14(21)22)15(10)17-18-11-5-2-3-6-12(11)24-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)(H,21,22)
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MMDB

KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a 1.12E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM54145
PNG
(5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]a...)
Show SMILES Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N2O3S2/c1-10-9-23-16(19-13(20)7-4-8-14(21)22)15(10)17-18-11-5-2-3-6-12(11)24-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)(H,21,22)
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n/an/a 2.67E+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/Q2Z60MHJ
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM54145
PNG
(5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]a...)
Show SMILES Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N2O3S2/c1-10-9-23-16(19-13(20)7-4-8-14(21)22)15(10)17-18-11-5-2-3-6-12(11)24-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)(H,21,22)
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n/an/a 3.28E+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/Q23R0RBQ
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM54145
PNG
(5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]a...)
Show SMILES Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N2O3S2/c1-10-9-23-16(19-13(20)7-4-8-14(21)22)15(10)17-18-11-5-2-3-6-12(11)24-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)(H,21,22)
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n/an/a 3.54E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair