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9 similar compounds to monomer 50358828

Compile data set for download or QSAR
Wt: 358.4
BDBM75215
Wt: 364.5
BDBM75217
Wt: 378.5
BDBM75218
Wt: 350.4
BDBM75219
Wt: 386.5
BDBM75221
Purchase
Wt: 372.4
BDBM75223
Wt: 416.4
BDBM50084018
Purchase
Wt: 462.5
BDBM50358829
Wt: 415.5
BDBM50358830

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 75215,75217,75218,75219,75221,75223,50084018,50358829,50358830   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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600n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor


Bioorg Med Chem Lett 10: 31-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00583-1
BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75217
PNG
(2-(cyclohexanecarbonylamino)-6-ethyl-5,7-dihydro-4...)
Show SMILES CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CC)CCc12
Show InChI InChI=1S/C19H28N2O3S/c1-3-21-11-10-14-15(12-21)25-18(16(14)19(23)24-4-2)20-17(22)13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,20,22)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75218
PNG
(2-(cyclohexanecarbonylamino)-6-isopropyl-5,7-dihyd...)
Show SMILES CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CCc12)C(C)C
Show InChI InChI=1S/C20H30N2O3S/c1-4-25-20(24)17-15-10-11-22(13(2)3)12-16(15)26-19(17)21-18(23)14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,21,23)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75219
PNG
(2-(cyclohexanecarbonylamino)-6-ethyl-5,7-dihydro-4...)
Show SMILES CCN1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2C(=O)OC
Show InChI InChI=1S/C18H26N2O3S/c1-3-20-10-9-13-14(11-20)24-17(15(13)18(22)23-2)19-16(21)12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,19,21)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75221
PNG
(2-[(2,2-dimethyl-1-oxopropyl)amino]-6-(phenylmethy...)
Show SMILES COC(=O)c1c(NC(=O)C(C)(C)C)sc2CN(Cc3ccccc3)CCc12
Show InChI InChI=1S/C21H26N2O3S/c1-21(2,3)20(25)22-18-17(19(24)26-4)15-10-11-23(13-16(15)27-18)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,22,25)
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n/an/an/an/a 2.17E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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n/an/a 186n/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK-293 cells expressing human Adeno...


Bioorg Med Chem Lett 10: 31-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00583-1
BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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n/an/a 100n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50358829
PNG
(CHEMBL1923060)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OC1CCCC1
Show InChI InChI=1S/C22H26N2O5S2/c1-2-28-22(27)24-10-9-16-17(13-24)31-20(23-18(25)12-15-8-5-11-30-15)19(16)21(26)29-14-6-3-4-7-14/h5,8,11,14H,2-4,6-7,9-10,12-13H2,1H3,(H,23,25)
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n/an/a 290n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50358830
PNG
(CHEMBL1923066)
Show SMILES CCNC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H25N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,27)(H,23,25)
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n/an/a 27n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75215
PNG
(6-ethyl-2-[(1-oxo-2-phenylethyl)amino]-5,7-dihydro...)
Show SMILES CCN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OC
Show InChI InChI=1S/C19H22N2O3S/c1-3-21-10-9-14-15(12-21)25-18(17(14)19(23)24-2)20-16(22)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,20,22)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75223
PNG
(6-ethyl-2-[(1-oxo-2-phenylethyl)amino]-5,7-dihydro...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2CN(CC)CCc12
Show InChI InChI=1S/C20H24N2O3S/c1-3-22-11-10-15-16(13-22)26-19(18(15)20(24)25-4-2)21-17(23)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,21,23)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair