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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'al-abed' and Initial = 'y'   
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
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209085
PNG
(3-fluoro-4-hydroxybenzaldehyde (4-methoxyphenyl)hy...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(F)c1
Show InChI InChI=1S/C14H13FN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3
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n/an/a 130n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209081
PNG
(3-chloro-4-hydroxybenzaldehyde (4-methoxyphenyl)hy...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C14H13ClN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3
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n/an/a 220n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209089
PNG
(3-bromo-4-hydroxybenzaldehyde (4-methoxyphenyl)hyd...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(Br)c1
Show InChI InChI=1S/C14H13BrN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3
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n/an/a 330n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209090
PNG
(4-hydroxybenzaldehyde (4-methoxyphenyl)hydrazone |...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)cc1
Show InChI InChI=1S/C14H14N2O2/c1-18-14-8-4-12(5-9-14)16-15-10-11-2-6-13(17)7-3-11/h2-9,17H,10H2,1H3
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n/an/a 480n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186440
PNG
((R)-1-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroiso...)
Show SMILES CC(C)(C)CC(=O)C[C@H]1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H20FNO3/c1-16(2,3)9-11(19)7-12-8-14(18-21-12)10-4-5-15(20)13(17)6-10/h4-6,12,20H,7-9H2,1-3H3/t12-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186444
PNG
(CHEMBL211882 | neopentyl 2-(3-(3-fluoro-4-hydroxyp...)
Show SMILES CC(C)(C)COC(=O)CC1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H20FNO4/c1-16(2,3)9-21-15(20)8-11-7-13(18-22-11)10-4-5-14(19)12(17)6-10/h4-6,11,19H,7-9H2,1-3H3
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n/an/a 750n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186438
PNG
((S)-1-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroiso...)
Show SMILES CC(C)(C)CC(=O)C[C@@H]1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H20FNO3/c1-16(2,3)9-11(19)7-12-8-14(18-21-12)10-4-5-15(20)13(17)6-10/h4-6,12,20H,7-9H2,1-3H3/t12-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373155
PNG
(CHEMBL253951)
Show SMILES Oc1ccc(C=NOC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186443
PNG
(CHEMBL210592 | US8618147, 16 | neopentyl 2-(3-(4-h...)
Show SMILES CC(C)(C)COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C16H21NO4/c1-16(2,3)10-20-15(19)9-13-8-14(17-21-13)11-4-6-12(18)7-5-11/h4-7,13,18H,8-10H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186443
PNG
(CHEMBL210592 | US8618147, 16 | neopentyl 2-(3-(4-h...)
Show SMILES CC(C)(C)COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C16H21NO4/c1-16(2,3)10-20-15(19)9-13-8-14(17-21-13)11-4-6-12(18)7-5-11/h4-7,13,18H,8-10H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50113768
PNG
((S)-methyl 2-(4-hydroxybenzylideneamino)-3-(1H-ind...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O3/c1-24-19(23)18(20-11-13-6-8-15(22)9-7-13)10-14-12-21-17-5-3-2-4-16(14)17/h2-9,11-12,18,21-22H,10H2,1H3/b20-11+/t18-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50113768
PNG
((S)-methyl 2-(4-hydroxybenzylideneamino)-3-(1H-ind...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O3/c1-24-19(23)18(20-11-13-6-8-15(22)9-7-13)10-14-12-21-17-5-3-2-4-16(14)17/h2-9,11-12,18,21-22H,10H2,1H3/b20-11+/t18-/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human macrophage migration inhibitory factor tautomerase (MIF) activity


J Med Chem 45: 2410-6 (2002)


Article DOI: 10.1021/jm010534q
BindingDB Entry DOI: 10.7270/Q2WS8SKS
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186445
PNG
(CHEMBL209401 | US8618147, 14 | cyclohexyl 2-(3-(4-...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)OC2CCCCC2)C1
Show InChI InChI=1S/C17H21NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h6-9,14-15,19H,1-5,10-11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186445
PNG
(CHEMBL209401 | US8618147, 14 | cyclohexyl 2-(3-(4-...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)OC2CCCCC2)C1
Show InChI InChI=1S/C17H21NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h6-9,14-15,19H,1-5,10-11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209091
PNG
(4-hydroxybenzaldehyde phenylhydrazone | CHEMBL2240...)
Show SMILES Oc1ccc(CN=Nc2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O/c16-13-8-6-11(7-9-13)10-14-15-12-4-2-1-3-5-12/h1-9,16H,10H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186429
PNG
(CHEMBL210755 | US8618147, 13 | butyl 2-(3-(4-hydro...)
Show SMILES CCCCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C15H19NO4/c1-2-3-8-19-15(18)10-13-9-14(16-20-13)11-4-6-12(17)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186429
PNG
(CHEMBL210755 | US8618147, 13 | butyl 2-(3-(4-hydro...)
Show SMILES CCCCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C15H19NO4/c1-2-3-8-19-15(18)10-13-9-14(16-20-13)11-4-6-12(17)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373156
PNG
(CHEMBL253950)
Show SMILES Oc1ccc(C=NOC(=O)CCC2CCCCC2)cc1
Show InChI InChI=1S/C16H21NO3/c18-15-9-6-14(7-10-15)12-17-20-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,12-13,18H,1-5,8,11H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373163
PNG
(CHEMBL256939)
Show SMILES Oc1ccc(C=NOC(=O)C2CCC=CC2)cc1
Show InChI InChI=1S/C14H15NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h1-2,6-10,12,16H,3-5H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186439
PNG
(CHEMBL208659 | US8618147, 11 | propyl 2-(3-(4-hydr...)
Show SMILES CCCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C14H17NO4/c1-2-7-18-14(17)9-12-8-13(15-19-12)10-3-5-11(16)6-4-10/h3-6,12,16H,2,7-9H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186439
PNG
(CHEMBL208659 | US8618147, 11 | propyl 2-(3-(4-hydr...)
Show SMILES CCCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C14H17NO4/c1-2-7-18-14(17)9-12-8-13(15-19-12)10-3-5-11(16)6-4-10/h3-6,12,16H,2,7-9H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373157
PNG
(CHEMBL257350)
Show SMILES Oc1ccc(C=NOC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C13H15NO3/c15-12-7-5-10(6-8-12)9-14-17-13(16)11-3-1-2-4-11/h5-9,11,15H,1-4H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186430
PNG
(CHEMBL377184 | US8618147, 15 | cyclohexylmethyl 2-...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)OCC2CCCCC2)C1
Show InChI InChI=1S/C18H23NO4/c20-15-8-6-14(7-9-15)17-10-16(23-19-17)11-18(21)22-12-13-4-2-1-3-5-13/h6-9,13,16,20H,1-5,10-12H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186430
PNG
(CHEMBL377184 | US8618147, 15 | cyclohexylmethyl 2-...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)OCC2CCCCC2)C1
Show InChI InChI=1S/C18H23NO4/c20-15-8-6-14(7-9-15)17-10-16(23-19-17)11-18(21)22-12-13-4-2-1-3-5-13/h6-9,13,16,20H,1-5,10-12H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209092
PNG
(CHEMBL221727 | tert-butyl-2-(4-hydroxybenzylidene)...)
Show SMILES CC(C)(C)OC(=O)NN=Cc1ccc(O)cc1
Show InChI InChI=1S/C12H16N2O3/c1-12(2,3)17-11(16)14-13-8-9-4-6-10(15)7-5-9/h4-8,15H,1-3H3,(H,14,16)
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n/an/a 5.50E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186425
PNG
(CHEMBL208716 | US8618147, 12 | isopropyl 2-(3-(4-h...)
Show SMILES CC(C)OC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C14H17NO4/c1-9(2)18-14(17)8-12-7-13(15-19-12)10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186425
PNG
(CHEMBL208716 | US8618147, 12 | isopropyl 2-(3-(4-h...)
Show SMILES CC(C)OC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C14H17NO4/c1-9(2)18-14(17)8-12-7-13(15-19-12)10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186427
PNG
(CHEMBL212313 | methyl 2-(3-(3-fluoro-4-hydroxyphen...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C12H12FNO4/c1-17-12(16)6-8-5-10(14-18-8)7-2-3-11(15)9(13)4-7/h2-4,8,15H,5-6H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186434
PNG
((R)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209080
PNG
(CHEMBL384671 | methyl 2-(3-(4-hydroxyphenyl)-4,5-d...)
Show SMILES COC(=O)CC1CON=C1c1ccc(O)cc1
Show InChI InChI=1S/C12H13NO4/c1-16-11(15)6-9-7-17-13-12(9)8-2-4-10(14)5-3-8/h2-5,9,14H,6-7H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373159
PNG
(CHEMBL256315)
Show SMILES CC(C)(C)CC(=O)ON=Cc1ccc(O)cc1
Show InChI InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373164
PNG
(CHEMBL256314)
Show SMILES CC(C)CC(=O)ON=Cc1ccc(O)cc1
Show InChI InChI=1S/C12H15NO3/c1-9(2)7-12(15)16-13-8-10-3-5-11(14)6-4-10/h3-6,8-9,14H,7H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373154
PNG
(CHEMBL257614)
Show SMILES Oc1ccc(\C=N\OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h1-10,16H/b15-10+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209083
PNG
(4-methoxybenzyl-2-(4-hydroxybenzylidene)hydrazinec...)
Show SMILES COc1ccc(COC(=O)NN=Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H16N2O4/c1-21-15-8-4-13(5-9-15)11-22-16(20)18-17-10-12-2-6-14(19)7-3-12/h2-10,19H,11H2,1H3,(H,18,20)
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n/an/a 8.00E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186433
PNG
(4-methoxyphenyl 2-(3-(4-hydroxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H17NO5/c1-22-14-6-8-15(9-7-14)23-18(21)11-16-10-17(19-24-16)12-2-4-13(20)5-3-12/h2-9,16,20H,10-11H2,1H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186431
PNG
(CHEMBL210529 | US8618147, 8 | tert-butyl 4-(2-(3-(...)
Show SMILES CC(C)(C)OC(=O)NCCCCNC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C20H29N3O5/c1-20(2,3)27-19(26)22-11-5-4-10-21-18(25)13-16-12-17(23-28-16)14-6-8-15(24)9-7-14/h6-9,16,24H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186431
PNG
(CHEMBL210529 | US8618147, 8 | tert-butyl 4-(2-(3-(...)
Show SMILES CC(C)(C)OC(=O)NCCCCNC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C20H29N3O5/c1-20(2,3)27-19(26)22-11-5-4-10-21-18(25)13-16-12-17(23-28-16)14-6-8-15(24)9-7-14/h6-9,16,24H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
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n/an/a 8.50E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM111576
PNG
(US8618147, 3)
Show SMILES OOc1ccc(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H15NO6/c19-12-3-1-11(2-4-12)16-9-15(23-18-16)10-17(20)22-13-5-7-14(24-21)8-6-13/h1-8,15,19,21H,9-10H2
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n/an/a 8.50E+3n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186424
PNG
(CHEMBL377038 | US8618147, 2 | phenyl 2-(3-(4-hydro...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)Oc2ccccc2)C1
Show InChI InChI=1S/C17H15NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186432
PNG
(4-tert-butylphenyl 2-(3-(4-hydroxyphenyl)-4,5-dihy...)
Show SMILES CC(C)(C)c1ccc(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C21H23NO4/c1-21(2,3)15-6-10-17(11-7-15)25-20(24)13-18-12-19(22-26-18)14-4-8-16(23)9-5-14/h4-11,18,23H,12-13H2,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50113775
PNG
(2-[(4-Hydroxy-benzylidene)-amino]-3-(4-hydroxy-phe...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C17H17NO4/c1-22-17(21)16(10-12-2-6-14(19)7-3-12)18-11-13-4-8-15(20)9-5-13/h2-9,11,16,19-20H,10H2,1H3/b18-11+/t16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human macrophage migration inhibitory factor tautomerase (MIF) activity


J Med Chem 45: 2410-6 (2002)


Article DOI: 10.1021/jm010534q
BindingDB Entry DOI: 10.7270/Q2WS8SKS
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209087
PNG
(CHEMBL221786 | benzyl-2-(4-hydroxybenzylidene)hydr...)
Show SMILES Oc1ccc(C=NNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O3/c18-14-8-6-12(7-9-14)10-16-17-15(19)20-11-13-4-2-1-3-5-13/h1-10,18H,11H2,(H,17,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186432
PNG
(4-tert-butylphenyl 2-(3-(4-hydroxyphenyl)-4,5-dihy...)
Show SMILES CC(C)(C)c1ccc(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C21H23NO4/c1-21(2,3)15-6-10-17(11-7-15)25-20(24)13-18-12-19(22-26-18)14-4-8-16(23)9-5-14/h4-11,18,23H,12-13H2,1-3H3
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Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186424
PNG
(CHEMBL377038 | US8618147, 2 | phenyl 2-(3-(4-hydro...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)Oc2ccccc2)C1
Show InChI InChI=1S/C17H15NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50373158
PNG
(CHEMBL402006)
Show SMILES Oc1ccc(C=NOC(=O)C2CCC2)cc1
Show InChI InChI=1S/C12H13NO3/c14-11-6-4-9(5-7-11)8-13-16-12(15)10-2-1-3-10/h4-8,10,14H,1-3H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


Article DOI: 10.1074/jbc.M701825200
BindingDB Entry DOI: 10.7270/Q2KS6SD0
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186426
PNG
(CHEMBL210858 | US8618147, ISO-1 | methyl 2-(3-(4-h...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186426
PNG
(CHEMBL210858 | US8618147, ISO-1 | methyl 2-(3-(4-h...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Mus musculus (Mouse))
BDBM50186442
PNG
(CHEMBL208658 | US8618147, 10 | ethyl 2-(3-(4-hydro...)
Show SMILES CCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C13H15NO4/c1-2-17-13(16)8-11-7-12(14-18-11)9-3-5-10(15)6-4-9/h3-6,11,15H,2,7-8H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Feinstein Institute for Medical Research

US Patent


Assay Description
MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl es...


US Patent US8618147 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RHZ
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186442
PNG
(CHEMBL208658 | US8618147, 10 | ethyl 2-(3-(4-hydro...)
Show SMILES CCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C13H15NO4/c1-2-17-13(16)8-11-7-12(14-18-11)9-3-5-10(15)6-4-9/h3-6,11,15H,2,7-8H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186436
PNG
((S)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@@H]1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.038
BindingDB Entry DOI: 10.7270/Q27W6BSG
More data for this
Ligand-Target Pair
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