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Compile Data Set for Download or QSAR

Found 18 hits from Ecole Polytechnique Fédérale de Lausanne   
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
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM63895
PNG
(7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo...)
Show SMILES Fc1ccc(cc1)C(=O)Oc1cc(=O)oc2c3cccc4CCn(c34)c(=O)c12
Show InChI InChI=1S/C21H12FNO5/c22-13-6-4-12(5-7-13)21(26)27-15-10-16(24)28-19-14-3-1-2-11-8-9-23(18(11)14)20(25)17(15)19/h1-7,10H,8-9H2
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190n/a 1.41E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92511
PNG
(JFD 03990, 7)
Show SMILES O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H15NO3/c24-21-15-20(26-22(25)16-9-3-1-4-10-16)18-13-7-8-14-19(18)23(21)17-11-5-2-6-12-17/h1-15H
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230n/a 1.55E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92518
PNG
(RJC 04082, 14)
Show SMILES O=C(Oc1cc(=O)n2CCCc3cccc1c23)c1ccccc1
Show InChI InChI=1S/C19H15NO3/c21-17-12-16(23-19(22)14-6-2-1-3-7-14)15-10-4-8-13-9-5-11-20(17)18(13)15/h1-4,6-8,10,12H,5,9,11H2
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450n/a 3.02E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92515
PNG
(RDR 03785, 11)
Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
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570n/a 2.40E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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570n/a 2.40E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92516
PNG
(RF 00032, 12)
Show SMILES Cc1cc(C)c(C#N)c(OC(=O)c2cccs2)n1
Show InChI InChI=1S/C13H10N2O2S/c1-8-6-9(2)15-12(10(8)7-14)17-13(16)11-4-3-5-18-11/h3-6H,1-2H3
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740n/a 3.47E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50240520
PNG
((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Show SMILES S=C=NCc1ccccc1
Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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790n/a 6.50E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92506
PNG
(BTB 09588, 1)
Show SMILES [O-][N+](=O)c1ccc(ONC(=O)c2cccs2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H7N3O6S/c15-11(10-2-1-5-21-10)12-20-9-4-3-7(13(16)17)6-8(9)14(18)19/h1-6H,(H,12,15)
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860n/a 2.45E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM32847
PNG
((5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-c...)
Show SMILES CC1(C)CC(=O)C=C(C1)OC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClO3/c1-15(2)8-12(17)7-13(9-15)19-14(18)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3
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1.30E+3n/a 3.31E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92510
PNG
(JFD 03186, 6)
Show SMILES Cc1ccc(cc1)C(=O)OC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H12O4/c1-11-6-8-12(9-7-11)18(21)22-16-10-15(19)13-4-2-3-5-14(13)17(16)20/h2-10H,1H3
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1.58E+3n/a 1.95E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92513
PNG
(ML 00144, 9)
Show SMILES Oc1ccc(C=NNC(=O)NN=Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O3/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)
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1.81E+3n/a 1.70E+4n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92508
PNG
(DP 00477, 3)
Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=S)Nc2ccccc2Cl)c1
Show InChI InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)
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1.84E+3n/a 3.31E+4n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92507
PNG
(DFP 00129, 2)
Show SMILES [O-][N+](=O)c1cc(cs1)C(=O)NC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C12H9ClN3O3S2/c13-8-3-1-2-4-9(8)14-12(20)15-11(17)7-5-10(16(18)19)21-6-7/h1-5H,6H2,(H2,14,15,17,20)
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2.47E+3n/a 7.08E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92509
PNG
(HTS 11308, 4)
Show SMILES CC(=O)N1CCSC1C(=O)NNC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C14H15N3O5S/c1-8(18)17-4-5-23-14(17)13(20)16-15-12(19)9-2-3-10-11(6-9)22-7-21-10/h2-3,6,14H,4-5,7H2,1H3,(H,15,19)(H,16,20)
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2.85E+3n/a 4.57E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92517
PNG
(RJC 02246, 13)
Show SMILES O=C(C(C#N)C1Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C14H10N2O2S/c15-8-9(13(17)11-5-3-7-18-11)14-16-10-4-1-2-6-12(10)19-14/h1-7,9,14,16H
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5.31E+3n/a 1.51E+4n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM31712
PNG
(HEXACHLOROPHENE | MLS000028433 | SMR000058356 | ci...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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5.55E+3n/a 6.00E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92512
PNG
(KM 05004, 8)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)OC1=C(Cl)C(=O)CCC1
Show InChI InChI=1S/C14H10ClF3O3/c15-12-10(19)5-2-6-11(12)21-13(20)8-3-1-4-9(7-8)14(16,17)18/h1,3-4,7H,2,5-6H2
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n/an/a 3.02E+3n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92514
PNG
(NRB 04242, 10)
Show SMILES COc1ccc(cc1)C(=O)\C=C\OC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClO3/c1-13(14-3-7-16(19)8-4-14)22-12-11-18(20)15-5-9-17(21-2)10-6-15/h3-12H,1H2,2H3/b12-11+
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n/an/a 1.48E+4n/an/an/an/a6.5n/a



Ecole Polytechnique Fédérale de Lausanne



Assay Description
The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...


J Biol Chem 285: 26581-98 (2010)


Article DOI: 10.1074/jbc.M110.113951
BindingDB Entry DOI: 10.7270/Q2XD1083
More data for this
Ligand-Target Pair