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3 similar compounds to monomer 37699

Compile data set for download or QSAR
Wt: 359.4
BDBM34364
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Wt: 333.4
BDBM37717
Wt: 367.4
BDBM56387
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 34364,37717,56387   
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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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1.28E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
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2.66E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
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>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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n/an/a 1.96E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
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n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

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
Kallikrein 5


(Homo sapiens (Human))
BDBM56387
PNG
(5-oxidanylidene-N-(phenylmethyl)-1-sulfanylidene-4...)
Show SMILES O=C(NCc1ccccc1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C18H13N3O2S2/c22-16-12-8-4-5-9-13(12)21-15(20-16)14(25-18(21)24)17(23)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,23)(H,20,22)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
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n/an/a 645n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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n/an/an/an/a 3.18E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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n/an/a 1.88E+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/Q2W094D4
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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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/Q23F4N3R
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
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n/an/a 4.06E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM37717
PNG
(MLS000094737 | N-butyl-5-keto-1-thioxo-4H-thiazolo...)
Show SMILES CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H15N3O2S2/c1-2-3-8-16-14(20)11-12-17-13(19)9-6-4-5-7-10(9)18(12)15(21)22-11/h4-7H,2-3,8H2,1H3,(H,16,20)(H,17,19)
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n/an/a 7.96E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair