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2 similar compounds to monomer 50396741

Compile data set for download or QSAR
Wt: 259.2
BDBM39020
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Wt: 261.2
BDBM50158743
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 39020,50158743   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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PCBioAssay
n/an/a 3.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/a 1.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/a 2.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/a 2.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158743
PNG
(2-Hydroxy-5-[(5-methyl-furan-2-carbonyl)-amino]-be...)
Show SMILES Cc1ccc(o1)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H11NO5/c1-7-2-5-11(19-7)12(16)14-8-3-4-10(15)9(6-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
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CHEMBL
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
BindingDB Entry DOI: 10.7270/Q28S4PD6
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/an/an/a 2.98E+4n/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 C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/an/an/a 6.56E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/a 6.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158743
PNG
(2-Hydroxy-5-[(5-methyl-furan-2-carbonyl)-amino]-be...)
Show SMILES Cc1ccc(o1)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H11NO5/c1-7-2-5-11(19-7)12(16)14-8-3-4-10(15)9(6-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
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CHEMBL
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
BindingDB Entry DOI: 10.7270/Q28S4PD6
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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n/an/an/an/a 820n/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/Q2154FGT
More data for this
Ligand-Target Pair