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3 similar compounds to monomer 41095

Compile data set for download or QSAR
Wt: 415.3
BDBM53783
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Wt: 429.4
BDBM53784
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Wt: 385.3
BDBM54919
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 53783,53784,54919   
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
plectin 1


(Homo sapiens (Human))
BDBM54919
PNG
(2-furancarboxylic acid [4-[(E)-2-(1H-benzimidazol-...)
Show SMILES COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C22H15N3O4/c1-27-20-12-14(8-9-18(20)29-22(26)19-7-4-10-28-19)11-15(13-23)21-24-16-5-2-3-6-17(16)25-21/h2-12H,1H3,(H,24,25)/b15-11+
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n/an/a 6.22E+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/Q2V1236D
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53783
PNG
(5-({4-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-me...)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C23H17N3O5/c1-29-21-11-14(6-8-19(21)30-13-16-7-9-20(31-16)23(27)28)10-15(12-24)22-25-17-4-2-3-5-18(17)26-22/h2-11H,13H2,1H3,(H,25,26)(H,27,28)/b15-10-
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n/an/a 5.21E+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
Group III secretory phopholipase A2


(Homo sapiens (Human))
BDBM53783
PNG
(5-({4-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-me...)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C23H17N3O5/c1-29-21-11-14(6-8-19(21)30-13-16-7-9-20(31-16)23(27)28)10-15(12-24)22-25-17-4-2-3-5-18(17)26-22/h2-11H,13H2,1H3,(H,25,26)(H,27,28)/b15-10-
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n/an/a 6.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM53784
PNG
(5-({4-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-et...)
Show SMILES CCOc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C24H19N3O5/c1-2-30-22-12-15(7-9-20(22)31-14-17-8-10-21(32-17)24(28)29)11-16(13-25)23-26-18-5-3-4-6-19(18)27-23/h3-12H,2,14H2,1H3,(H,26,27)(H,28,29)/b16-11-
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n/an/a 9.14E+3n/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
plectin 1


(Homo sapiens (Human))
BDBM54919
PNG
(2-furancarboxylic acid [4-[(E)-2-(1H-benzimidazol-...)
Show SMILES COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C22H15N3O4/c1-27-20-12-14(8-9-18(20)29-22(26)19-7-4-10-28-19)11-15(13-23)21-24-16-5-2-3-6-17(16)25-21/h2-12H,1H3,(H,24,25)/b15-11+
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n/an/a 2.00E+5n/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/Q2QZ28D7
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53784
PNG
(5-({4-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-et...)
Show SMILES CCOc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C24H19N3O5/c1-2-30-22-12-15(7-9-20(22)31-14-17-8-10-21(32-17)24(28)29)11-16(13-25)23-26-18-5-3-4-6-19(18)27-23/h3-12H,2,14H2,1H3,(H,26,27)(H,28,29)/b16-11-
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n/an/a 6.08E+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