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3 similar compounds to monomer 61880

Compile data set for download or QSAR
Wt: 423.4
BDBM74082
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Wt: 415.5
BDBM50249527
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Wt: 373.3
BDBM50348091
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 74082,50249527,50348091   
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
LANA


(Human herpesvirus 8)
BDBM74082
PNG
(2-methyl-5-(p-cumenylsulfonylamino)benzo[g]benzofu...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc2c(C(O)=O)c(C)oc2c2ccccc12
Show InChI InChI=1S/C23H21NO5S/c1-13(2)15-8-10-16(11-9-15)30(27,28)24-20-12-19-21(23(25)26)14(3)29-22(19)18-7-5-4-6-17(18)20/h4-13,24H,1-3H3,(H,25,26)
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PCBioAssay
n/an/an/an/a 2.16E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249527
PNG
(CHEMBL470533 | ethyl 5-(2,5-dimethylphenylsulfonam...)
Show SMILES CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
Show InChI InChI=1S/C22H25NO5S/c1-5-7-19-21(22(24)27-6-2)17-13-16(10-11-18(17)28-19)23-29(25,26)20-12-14(3)8-9-15(20)4/h8-13,23H,5-7H2,1-4H3
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Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50348091
PNG
(CHEMBL579363 | GNF-PF-1973)
Show SMILES CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12
Show InChI InChI=1S/C18H15NO6S/c1-10(20)17-11(2)25-16-7-6-13(9-15(16)17)19-26(23,24)14-5-3-4-12(8-14)18(21)22/h3-9,19H,1-2H3,(H,21,22)
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Article
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n/an/a 1.76E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry


Bioorg Med Chem Lett 21: 4238-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50348091
PNG
(CHEMBL579363 | GNF-PF-1973)
Show SMILES CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12
Show InChI InChI=1S/C18H15NO6S/c1-10(20)17-11(2)25-16-7-6-13(9-15(16)17)19-26(23,24)14-5-3-4-12(8-14)18(21)22/h3-9,19H,1-2H3,(H,21,22)
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n/an/a 8.50E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of SHP1


Bioorg Med Chem Lett 21: 4238-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50348091
PNG
(CHEMBL579363 | GNF-PF-1973)
Show SMILES CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12
Show InChI InChI=1S/C18H15NO6S/c1-10(20)17-11(2)25-16-7-6-13(9-15(16)17)19-26(23,24)14-5-3-4-12(8-14)18(21)22/h3-9,19H,1-2H3,(H,21,22)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 21: 4238-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.078
BindingDB Entry DOI: 10.7270/Q2JQ11CJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249527
PNG
(CHEMBL470533 | ethyl 5-(2,5-dimethylphenylsulfonam...)
Show SMILES CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
Show InChI InChI=1S/C22H25NO5S/c1-5-7-19-21(22(24)27-6-2)17-13-16(10-11-18(17)28-19)23-29(25,26)20-12-14(3)8-9-15(20)4/h8-13,23H,5-7H2,1-4H3
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Article
PubMed
n/an/a 5.87E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair