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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'mayasundari' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein cereblon


(Homo sapiens (Human))
BDBM50586185
PNG
(CHEMBL5090416)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 0.0200n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586179
PNG
(CHEMBL4744617)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCN2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nc2[nH]ccc12
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586184
PNG
(CHEMBL5078429)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 0.450n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586180
PNG
(CHEMBL5082689)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCNc2cccc(c2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586176
PNG
(CHEMBL4742130)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nc2[nH]ccc12
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586177
PNG
(CHEMBL5090604)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nc2[nH]ccc12
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586187
PNG
(CHEMBL5074539)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCC3(CC2)CCN(CC3)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586182
PNG
(CHEMBL5073737)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2cccc(c2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586178
PNG
(CHEMBL5092577)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nc2[nH]ccc12
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586181
PNG
(CHEMBL5082136)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586186
PNG
(CHEMBL5077200)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CC3CC2CN3c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM50586183
PNG
(CHEMBL5094176)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50231893
PNG
(2-(4-carboxybutyl)-3-(hydroxymethyl)-5-methyl-1-ph...)
Show SMILES Cc1cc2c(CO)c(CCCCC(O)=O)n(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-16-13-19-20(15-26)21(9-5-6-10-23(27)28)25(22(19)14-18(16)24(29)30)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-14,26H,5-6,9-12,15H2,1H3,(H,27,28)(H,29,30)
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n/an/a 1.50E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50231891
PNG
(2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole...)
Show SMILES CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27)
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n/an/a 1.60E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50231893
PNG
(2-(4-carboxybutyl)-3-(hydroxymethyl)-5-methyl-1-ph...)
Show SMILES Cc1cc2c(CO)c(CCCCC(O)=O)n(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-16-13-19-20(15-26)21(9-5-6-10-23(27)28)25(22(19)14-18(16)24(29)30)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-14,26H,5-6,9-12,15H2,1H3,(H,27,28)(H,29,30)
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n/an/a 1.70E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50231889
PNG
(3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-1H...)
Show SMILES CCCCCc1c(CO)c2cc(C)c(cc2n1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H29NO3/c1-3-4-6-11-22-21(16-26)20-14-17(2)19(24(27)28)15-23(20)25(22)13-12-18-9-7-5-8-10-18/h5,7-10,14-15,26H,3-4,6,11-13,16H2,1-2H3,(H,27,28)
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n/an/a 2.80E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50231892
PNG
(2-(4-carboxy-1-hydroxybutyl)-6-methyl-3-phenethyl-...)
Show SMILES Cc1cc2[nH]c(C(O)CCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O |w:6.6|
Show InChI InChI=1S/C23H25NO5/c1-14-12-19-18(13-17(14)23(28)29)16(11-10-15-6-3-2-4-7-15)22(24-19)20(25)8-5-9-21(26)27/h2-4,6-7,12-13,20,24-25H,5,8-11H2,1H3,(H,26,27)(H,28,29)
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n/an/a 3.30E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50231889
PNG
(3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-1H...)
Show SMILES CCCCCc1c(CO)c2cc(C)c(cc2n1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H29NO3/c1-3-4-6-11-22-21(16-26)20-14-17(2)19(24(27)28)15-23(20)25(22)13-12-18-9-7-5-8-10-18/h5,7-10,14-15,26H,3-4,6,11-13,16H2,1-2H3,(H,27,28)
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n/an/a 3.80E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50231890
PNG
(2-((2-carboxyethyl)carbamoyl)-6-methyl-3-phenethyl...)
Show SMILES Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C22H22N2O5/c1-13-11-18-17(12-16(13)22(28)29)15(8-7-14-5-3-2-4-6-14)20(24-18)21(27)23-10-9-19(25)26/h2-6,11-12,24H,7-10H2,1H3,(H,23,27)(H,25,26)(H,28,29)
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n/an/a 4.90E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50231892
PNG
(2-(4-carboxy-1-hydroxybutyl)-6-methyl-3-phenethyl-...)
Show SMILES Cc1cc2[nH]c(C(O)CCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O |w:6.6|
Show InChI InChI=1S/C23H25NO5/c1-14-12-19-18(13-17(14)23(28)29)16(11-10-15-6-3-2-4-7-15)22(24-19)20(25)8-5-9-21(26)27/h2-4,6-7,12-13,20,24-25H,5,8-11H2,1H3,(H,26,27)(H,28,29)
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n/an/a 7.77E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50231890
PNG
(2-((2-carboxyethyl)carbamoyl)-6-methyl-3-phenethyl...)
Show SMILES Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C22H22N2O5/c1-13-11-18-17(12-16(13)22(28)29)15(8-7-14-5-3-2-4-6-14)20(24-18)21(27)23-10-9-19(25)26/h2-6,11-12,24H,7-10H2,1H3,(H,23,27)(H,25,26)(H,28,29)
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n/an/a 8.20E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50231891
PNG
(2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole...)
Show SMILES CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4|
Show InChI InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27)
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n/an/a 1.54E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain


Bioorg Med Chem Lett 18: 942-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50586185
PNG
(CHEMBL5090416)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
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n/an/an/a 0.0220n/an/an/an/an/a


TBA

Assay Description
Binding affinity to JAK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50586181
PNG
(CHEMBL5082136)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.140n/an/an/an/an/a


TBA

Assay Description
Binding affinity to JAK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI: 10.7270/Q2D79GBF
More data for this
Ligand-Target Pair