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7 similar compounds to monomer 44653

Compile data set for download or QSAR
Wt: 310.3
BDBM42849
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Wt: 270.2
BDBM42853
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Wt: 430.4
BDBM44657
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Wt: 350.3
BDBM66270
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Wt: 338.3
BDBM64199
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Wt: 350.3
BDBM95471
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Wt: 320.3
BDBM95618
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 42849,42853,44657,66270,64199,95471,95618   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44657
PNG
(MLS000092989 | N-(2-{[(4-methoxyphenyl)amino]carbo...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H18N2O6/c1-29-16-9-7-15(8-10-16)25-24(28)22-21(17-4-2-3-5-18(17)32-22)26-23(27)14-6-11-19-20(12-14)31-13-30-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 2.40E+3n/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 (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42849
PNG
(3-(m-anisoylamino)coumarilamide | 3-[(3-methoxyben...)
Show SMILES COc1cccc(c1)C(=O)Nc1c(oc2ccccc12)C(N)=O
Show InChI InChI=1S/C17H14N2O4/c1-22-11-6-4-5-10(9-11)17(21)19-14-12-7-2-3-8-13(12)23-15(14)16(18)20/h2-9H,1H3,(H2,18,20)(H,19,21)
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n/an/a 3.21E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42853
PNG
(3-(2-furoylamino)coumarilamide | 3-(furan-2-carbon...)
Show SMILES NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1
Show InChI InChI=1S/C14H10N2O4/c15-13(17)12-11(8-4-1-2-5-9(8)20-12)16-14(18)10-6-3-7-19-10/h1-7H,(H2,15,17)(H,16,18)
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n/an/a 9.90E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM64199
PNG
(3-acetamido-N-(1,3-benzodioxol-5-yl)-1-benzofuran-...)
Show SMILES CC(=O)Nc1c(oc2ccccc12)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C18H14N2O5/c1-10(21)19-16-12-4-2-3-5-13(12)25-17(16)18(22)20-11-6-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
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n/an/an/an/a>1.95E+5n/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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66270
PNG
(3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
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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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95471
PNG
(3-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-...)
Show SMILES COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-6-4-5-13(11-14)21-20(24)18-17(22-19(23)12-9-10-12)15-7-2-3-8-16(15)26-18/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,23)
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n/an/a>3.59E+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/Q2SX6BVP
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95618
PNG
(3-(cyclopropanecarbonylamino)-N-phenyl-1-benzofura...)
Show SMILES O=C(Nc1c(oc2ccccc12)C(=O)Nc1ccccc1)C1CC1
Show InChI InChI=1S/C19H16N2O3/c22-18(12-10-11-12)21-16-14-8-4-5-9-15(14)24-17(16)19(23)20-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
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n/an/a>3.59E+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/Q22F7M18
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66270
PNG
(3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
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n/an/a 1.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66270
PNG
(3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
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n/an/a 1.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95471
PNG
(3-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-...)
Show SMILES COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-6-4-5-13(11-14)21-20(24)18-17(22-19(23)12-9-10-12)15-7-2-3-8-16(15)26-18/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,23)
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n/an/a>3.59E+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/Q22F7M18
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66270
PNG
(3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair