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PubMed code 17526494

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50373155
PNG
(CHEMBL253951)
Show SMILES Oc1ccc(C=NOC(=O)C2CCCCC2)cc1 |w:5.4|
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


(Homo sapiens (Human))		BDBM50373156
PNG
(CHEMBL253950)
Show SMILES Oc1ccc(C=NOC(=O)CCC2CCCCC2)cc1 |w:5.4|
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


(Homo sapiens (Human))		BDBM50373163
PNG
(CHEMBL256939)
Show SMILES Oc1ccc(C=NOC(=O)C2CCC=CC2)cc1 |w:5.4,c:13|
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


(Homo sapiens (Human))		BDBM50373157
PNG
(CHEMBL257350)
Show SMILES Oc1ccc(C=NOC(=O)C2CCCC2)cc1 |w:5.4|
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


(Homo sapiens (Human))		BDBM50373159
PNG
(CHEMBL256315)
Show SMILES CC(C)(C)CC(=O)ON=Cc1ccc(O)cc1 |w:9.9|
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


(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


(Homo sapiens (Human))		BDBM50373164
PNG
(CHEMBL256314)
Show SMILES CC(C)CC(=O)ON=Cc1ccc(O)cc1 |w:8.8|
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


(Homo sapiens (Human))		BDBM50373158
PNG
(CHEMBL402006)
Show SMILES Oc1ccc(C=NOC(=O)C2CCC2)cc1 |w:5.4|
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


(Homo sapiens (Human))		BDBM50373160
PNG
(CHEMBL255892)
Show SMILES CCCCC(=O)ON=Cc1ccc(O)cc1 |w:8.8|
Show InChI InChI=1S/C12H15NO3/c1-2-3-4-12(15)16-13-9-10-5-7-11(14)8-6-10/h5-9,14H,2-4H2,1H3
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n/an/a 1.45E+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


(Homo sapiens (Human))		BDBM50373165
PNG
(CHEMBL255736)
Show SMILES CC(C)C(=O)ON=Cc1ccc(O)cc1 |w:7.7|
Show InChI InChI=1S/C11H13NO3/c1-8(2)11(14)15-12-7-9-3-5-10(13)6-4-9/h3-8,13H,1-2H3
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n/an/a 2.50E+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


(Homo sapiens (Human))		BDBM50373161
PNG
(CHEMBL257820)
Show SMILES CC(C)(C)C(=O)O\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H15NO3/c1-12(2,3)11(15)16-13-8-9-4-6-10(14)7-5-9/h4-8,14H,1-3H3/b13-8+
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n/an/a 1.13E+5n/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


(Homo sapiens (Human))		BDBM50373162
PNG
(CHEMBL257822)
Show SMILES CC(=O)ON=Cc1ccc(O)cc1 |w:5.5|
Show InChI InChI=1S/C9H9NO3/c1-7(11)13-10-6-8-2-4-9(12)5-3-8/h2-6,12H,1H3
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n/an/a 1.47E+5n/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
* indicates data uncertainty>20%