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16 similar compounds to monomer 32346

Compile data set for download or QSAR
Wt: 349.4
BDBM34543
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Wt: 279.3
BDBM39416
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Wt: 335.4
BDBM48301
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Wt: 403.4
BDBM60080
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Wt: 379.4
BDBM60104
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Wt: 403.4
BDBM60107
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Wt: 403.4
BDBM60054
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Wt: 391.4
BDBM60013
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Wt: 407.4
BDBM60072
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Wt: 417.5
BDBM60073
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Wt: 329.4
BDBM62343
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Wt: 389.4
BDBM66537
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Wt: 405.5
BDBM66911
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Wt: 366.4
BDBM50266444
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Wt: 392.5
BDBM50336475
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 34543,39416,48301,60080,60104,60107,60054,60013,60072,60073,62343,66537,66911,50266444,50336475   
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
Genome polyprotein


(West Nile virus)
BDBM39416
PNG
(2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydrobe...)
Show SMILES COC(=O)c1c(NC(=O)C2CC2)sc2CCCCc12
Show InChI InChI=1S/C14H17NO3S/c1-18-14(17)11-9-4-2-3-5-10(9)19-13(11)15-12(16)8-6-7-8/h8H,2-7H2,1H3,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266444
PNG
(2-(4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-ylca...)
Show SMILES CCCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCCC1C([O-])=O
Show InChI InChI=1S/C18H25NO5S/c1-4-9-24-18(23)14-10(2)11(3)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h12-13H,4-9H2,1-3H3,(H,19,20)(H,21,22)/p-1
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CHEBI
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Article
PubMed
n/an/a 2.10E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM34543
PNG
(6-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-4,5...)
Show SMILES COC(=O)c1c(NC(=O)Cc2cccs2)sc2CC(C)CCc12
Show InChI InChI=1S/C17H19NO3S2/c1-10-5-6-12-13(8-10)23-16(15(12)17(20)21-2)18-14(19)9-11-4-3-7-22-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19)
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n/an/an/an/a 0.0139n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48301
PNG
(2-(2-Thiophen-2-yl-acetylamino)-4,5,6,7-tetrahydro...)
Show SMILES COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H17NO3S2/c1-20-16(19)14-11-6-2-3-7-12(11)22-15(14)17-13(18)9-10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
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n/an/a 1.03E+5n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48301
PNG
(2-(2-Thiophen-2-yl-acetylamino)-4,5,6,7-tetrahydro...)
Show SMILES COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H17NO3S2/c1-20-16(19)14-11-6-2-3-7-12(11)22-15(14)17-13(18)9-10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
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n/an/a 4.51E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM48301
PNG
(2-(2-Thiophen-2-yl-acetylamino)-4,5,6,7-tetrahydro...)
Show SMILES COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H17NO3S2/c1-20-16(19)14-11-6-2-3-7-12(11)22-15(14)17-13(18)9-10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
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n/an/an/an/a 1.77E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60013
PNG
(2-[(3-carbethoxy-4-ethyl-5-methyl-2-thienyl)carbam...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C=C3)C2C(O)=O)sc(C)c1CC
Show InChI InChI=1S/C20H25NO5S/c1-4-13-10(3)27-18(16(13)20(25)26-5-2)21-17(22)14-11-6-8-12(9-7-11)15(14)19(23)24/h6,8,11-12,14-15H,4-5,7,9H2,1-3H3,(H,21,22)(H,23,24)
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n/an/a 1.32E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60054
PNG
(2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzot...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CC(C)CCc12
Show InChI InChI=1S/C21H25NO5S/c1-3-27-21(26)17-13-7-4-10(2)8-14(13)28-19(17)22-18(23)15-11-5-6-12(9-11)16(15)20(24)25/h5-6,10-12,15-16H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 1.57E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60072
PNG
(2-[(3-carbomethoxy-4,5,6,7,8,9-hexahydrocycloocta[...)
Show SMILES COC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(O)=O)sc2CCCCCCc12
Show InChI InChI=1S/C20H25NO6S/c1-26-20(25)14-10-6-4-2-3-5-7-13(10)28-18(14)21-17(22)15-11-8-9-12(27-11)16(15)19(23)24/h11-12,15-16H,2-9H2,1H3,(H,21,22)(H,23,24)
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n/an/a 4.89E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60073
PNG
(2-[(3-carbethoxy-6-ethyl-4,5,6,7-tetrahydrobenzoth...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CC(CC)CCc12
Show InChI InChI=1S/C22H27NO5S/c1-3-11-5-8-14-15(9-11)29-20(18(14)22(27)28-4-2)23-19(24)16-12-6-7-13(10-12)17(16)21(25)26/h6-7,11-13,16-17H,3-5,8-10H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 7.67E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60080
PNG
(2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2(C)C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C21H25NO5S/c1-3-27-19(24)15-13-6-4-5-7-14(13)28-18(15)22-17(23)16-11-8-9-12(10-11)21(16,2)20(25)26/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,22,23)(H,25,26)
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n/an/a 8.10E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60104
PNG
(2-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyc...)
Show SMILES COC(=O)c1c(NC(=O)C2CCCCC2C(O)=O)sc2CCCCCc12
Show InChI InChI=1S/C19H25NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h11-12H,2-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 1.49E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60107
PNG
(2-[(3-carbethoxy-5-methyl-4,5,6,7-tetrahydrobenzot...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CCC(C)Cc12
Show InChI InChI=1S/C21H25NO5S/c1-3-27-21(26)17-13-8-10(2)4-7-14(13)28-19(17)22-18(23)15-11-5-6-12(9-11)16(15)20(24)25/h5-6,10-12,15-16H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 1.01E+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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62343
PNG
(2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-be...)
Show SMILES OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
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n/an/a 2.00E+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/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62343
PNG
(2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-be...)
Show SMILES OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
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n/an/a 2.00E+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/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62343
PNG
(2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-be...)
Show SMILES OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
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n/an/a 2.00E+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/Q2TH8K43
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62343
PNG
(2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-be...)
Show SMILES OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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/Q2TH8K43
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62343
PNG
(2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-be...)
Show SMILES OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
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n/an/a>2.00E+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/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62343
PNG
(2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-be...)
Show SMILES OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
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n/an/a>2.00E+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/Q2PR7TDC
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM60073
PNG
(2-[(3-carbethoxy-6-ethyl-4,5,6,7-tetrahydrobenzoth...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CC(CC)CCc12
Show InChI InChI=1S/C22H27NO5S/c1-3-11-5-8-14-15(9-11)29-20(18(14)22(27)28-4-2)23-19(24)16-12-6-7-13(10-12)17(16)21(25)26/h6-7,11-13,16-17H,3-5,8-10H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a>5.96E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM60104
PNG
(2-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyc...)
Show SMILES COC(=O)c1c(NC(=O)C2CCCCC2C(O)=O)sc2CCCCCc12
Show InChI InChI=1S/C19H25NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h11-12H,2-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a>5.96E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66537
PNG
(2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C20H23NO5S/c1-2-26-20(25)16-12-5-3-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66911
PNG
(6-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyc...)
Show SMILES COC(=O)c1c(NC(=O)C2CC(C)=C(C)CC2C(O)=O)sc2CCCCCc12
Show InChI InChI=1S/C21H27NO5S/c1-11-9-14(15(20(24)25)10-12(11)2)18(23)22-19-17(21(26)27-3)13-7-5-4-6-8-16(13)28-19/h14-15H,4-10H2,1-3H3,(H,22,23)(H,24,25)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM60080
PNG
(2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2(C)C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C21H25NO5S/c1-3-27-19(24)15-13-6-4-5-7-14(13)28-18(15)22-17(23)16-11-8-9-12(10-11)21(16,2)20(25)26/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,22,23)(H,25,26)
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n/an/a 1.61E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM66537
PNG
(2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C20H23NO5S/c1-2-26-20(25)16-12-5-3-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)
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n/an/a 1.23E+4n/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/Q2N58K09
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336475
PNG
((S)-ethyl 5-methyl-2-(3-(4-methylpiperidin-1-yl)pr...)
Show SMILES CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2CC[C@H](C)Cc12
Show InChI InChI=1S/C21H32N2O3S/c1-4-26-21(25)19-16-13-15(3)5-6-17(16)27-20(19)22-18(24)9-12-23-10-7-14(2)8-11-23/h14-15H,4-13H2,1-3H3,(H,22,24)/t15-/m0/s1
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Article
PubMed
n/an/a 5.99E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48301
PNG
(2-(2-Thiophen-2-yl-acetylamino)-4,5,6,7-tetrahydro...)
Show SMILES COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H17NO3S2/c1-20-16(19)14-11-6-2-3-7-12(11)22-15(14)17-13(18)9-10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair