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Compile Data Set for Download or QSAR

Found 17 hits of ec50 data for polymerid = 50000384   
Target
(Institution)
LigandTarget
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
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132451
PNG
(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-N-...)
Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-22-20(25)12-4-6-18-16(8-12)17(21(26)23-18)9-13-11-24(2)19-7-5-14(27-3)10-15(13)19/h4-11H,1-3H3,(H,22,25)(H,23,26)/b17-9-
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n/an/an/an/a 100n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132433
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C20H19N3O4S/c1-21-28(25,26)14-5-6-18-16(10-14)17(20(24)22-18)8-12-11-23(2)19-7-4-13(27-3)9-15(12)19/h4-11,21H,1-3H3,(H,22,24)/b17-8-
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n/an/an/an/a 110n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132436
PNG
(3-((1-methyl-1H-indol-3-yl)methylene)-2-oxoindolin...)
Show SMILES Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
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n/an/an/an/a 313n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132450
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H2,20,24,25)/b16-7-
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n/an/an/an/a 1.40E+3n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132432
PNG
(2-(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCC(O)=O)c2c1
Show InChI InChI=1S/C21H19N3O6S/c1-24-11-12(15-8-13(30-2)3-6-19(15)24)7-17-16-9-14(4-5-18(16)23-21(17)27)31(28,29)22-10-20(25)26/h3-9,11,22H,10H2,1-2H3,(H,23,27)(H,25,26)/b17-7-
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n/an/an/an/a 1.94E+3n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132435
PNG
(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-2-...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)C(O)=O)c2c1
Show InChI InChI=1S/C20H16N2O4/c1-22-10-12(14-9-13(26-2)4-6-18(14)22)8-16-15-7-11(20(24)25)3-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H,24,25)/b16-8-
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n/an/an/an/a 3.50E+3n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132449
PNG
(3-((1-(4-morpholino-4-oxobutyl)-1H-indol-3-yl)meth...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(CCCC(=O)N4CCOCC4)c4ccccc34)c2c1
Show InChI InChI=1S/C25H26N4O5S/c26-35(32,33)18-7-8-22-20(15-18)21(25(31)27-22)14-17-16-29(23-5-2-1-4-19(17)23)9-3-6-24(30)28-10-12-34-13-11-28/h1-2,4-5,7-8,14-16H,3,6,9-13H2,(H,27,31)(H2,26,32,33)/b21-14-
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n/an/an/an/a 5.60E+3n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132454
PNG
(6-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES CCOC(=O)CCCCCn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C26H29N3O6S/c1-3-35-25(30)7-5-4-6-12-29-16-17(20-14-18(34-2)8-11-24(20)29)13-22-21-15-19(36(27,32)33)9-10-23(21)28-26(22)31/h8-11,13-16H,3-7,12H2,1-2H3,(H,28,31)(H2,27,32,33)/b22-13-
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n/an/an/an/a 6.30E+3n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132444
PNG
(5-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES CCOC(=O)CCCCn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C25H27N3O6S/c1-3-34-24(29)6-4-5-11-28-15-16(19-13-17(33-2)7-10-23(19)28)12-21-20-14-18(35(26,31)32)8-9-22(20)27-25(21)30/h7-10,12-15H,3-6,11H2,1-2H3,(H,27,30)(H2,26,31,32)/b21-12-
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n/an/an/an/a 6.96E+3n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132445
PNG
(3-[1-(5-Methoxy-1H-indol-3-yl)-meth-(Z)-ylidene]-2...)
Show SMILES COc1ccc2[nH]cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C18H15N3O4S/c1-25-11-2-4-16-13(7-11)10(9-20-16)6-15-14-8-12(26(19,23)24)3-5-17(14)21-18(15)22/h2-9,20H,1H3,(H,21,22)(H2,19,23,24)/b15-6-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132443
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCC(N)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-31-14-4-7-20-16(10-14)13(12-26(20)8-2-3-21(23)27)9-18-17-11-15(32(24,29)30)5-6-19(17)25-22(18)28/h4-7,9-12H,2-3,8H2,1H3,(H2,23,27)(H,25,28)(H2,24,29,30)/b18-9-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132437
PNG
(3-((1-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl)me...)
Show SMILES COc1ccc2n(CCCO)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H21N3O5S/c1-29-14-3-6-20-16(10-14)13(12-24(20)7-2-8-25)9-18-17-11-15(30(22,27)28)4-5-19(17)23-21(18)26/h3-6,9-12,25H,2,7-8H2,1H3,(H,23,26)(H2,22,27,28)/b18-9-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132448
PNG
(2-[3-(5-Methoxy-1-methyl-1H-indol-3-ylmethylene)-2...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCC(N)=O)c2c1
Show InChI InChI=1S/C21H20N4O5S/c1-25-11-12(15-8-13(30-2)3-6-19(15)25)7-17-16-9-14(4-5-18(16)24-21(17)27)31(28,29)23-10-20(22)26/h3-9,11,23H,10H2,1-2H3,(H2,22,26)(H,24,27)/b17-7-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132455
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)N(C)C)c2c1
Show InChI InChI=1S/C21H21N3O4S/c1-23(2)29(26,27)15-6-7-19-17(11-15)18(21(25)22-19)9-13-12-24(3)20-8-5-14(28-4)10-16(13)20/h5-12H,1-4H3,(H,22,25)/b18-9-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132441
PNG
(3-(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCCC(N)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-26-12-13(16-10-14(31-2)3-6-20(16)26)9-18-17-11-15(4-5-19(17)25-22(18)28)32(29,30)24-8-7-21(23)27/h3-6,9-12,24H,7-8H2,1-2H3,(H2,23,27)(H,25,28)/b18-9-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132447
PNG
(5-[5-Methoxy-3-(2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCCC(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N3O6S/c1-32-15-5-8-21-17(11-15)14(13-26(21)9-3-2-4-22(27)28)10-19-18-12-16(33(24,30)31)6-7-20(18)25-23(19)29/h5-8,10-13H,2-4,9H2,1H3,(H,25,29)(H,27,28)(H2,24,30,31)/b19-10-
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n/an/an/an/a 2.07E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50132438
PNG
(2-Oxo-3-[1-[1-(4-oxo-4-piperidin-1-yl-butyl)-1H-in...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(CCCC(=O)N4CCCCC4)c4ccccc34)c2c1
Show InChI InChI=1S/C26H28N4O4S/c27-35(33,34)19-10-11-23-21(16-19)22(26(32)28-23)15-18-17-30(24-8-3-2-7-20(18)24)14-6-9-25(31)29-12-4-1-5-13-29/h2-3,7-8,10-11,15-17H,1,4-6,9,12-14H2,(H,28,32)(H2,27,33,34)/b22-15-
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n/an/an/an/a>3.00E+4n/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release


Bioorg Med Chem Lett 13: 3111-4 (2003)

More data for this
Ligand-Target Pair