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Compile Data Set for Download or QSAR

Found 429 hits Enz. Inhib. hit(s) with Target = 'Macrophage migration inhibitory factor (MIF)'   
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))
BDBM50167988
PNG
(CHEMBL3798703)
Show SMILES COC(=O)[C@H]1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C11H11NO4/c1-15-11(14)10-6-9(12-16-10)7-2-4-8(13)5-3-7/h2-5,10,13H,6H2,1H3/t10-/m1/s1
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n/an/an/a 2.40E+4n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to human MIF by fluorescence polarization assay


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50095998
PNG
(CHEMBL345292 | Hexylglutathione | L-gamma-glutamyl...)
Show SMILES CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
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n/an/an/a 2.50E+6n/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Binding activity towards the active site of macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206092
PNG
(CHEMBL3917143)
Show SMILES OC(=O)c1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)
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14n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206091
PNG
(CHEMBL3918231)
Show SMILES COCCOc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C26H21FN4O4/c1-33-12-13-34-18-4-2-5-19(15-18)35-26-7-3-6-22-20(26)9-10-23(28-22)24-16-31(30-29-24)17-8-11-25(32)21(27)14-17/h2-11,14-16,32H,12-13H2,1H3
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24n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206062
PNG
(CHEMBL3890541)
Show SMILES OC(=O)COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C21H17FN4O5/c22-16-10-14(2-6-20(16)27)26-11-19(24-25-26)18-4-1-13-9-15(3-5-17(13)23-18)31-8-7-30-12-21(28)29/h1-6,9-11,27H,7-8,12H2,(H,28,29)
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37n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50095997
PNG
(3',4',7-trihydroxyisoflavone | CHEMBL13486)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
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38n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50095997
PNG
(3',4',7-trihydroxyisoflavone | CHEMBL13486)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
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38n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase


J Med Chem 52: 416-24 (2009)


Article DOI: 10.1021/jm801100v
BindingDB Entry DOI: 10.7270/Q208656D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Plasmodium falciparum)
BDBM50399046
PNG
(CHEMBL2178862)
Show SMILES COc1ccc(cc1)-c1cc(Oc2cc(C)cc(OC)c2)cc(C)n1
Show InChI InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3
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38n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206083
PNG
(CHEMBL3927658)
Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)
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39n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Plasmodium falciparum)
BDBM50399047
PNG
(CHEMBL2178856)
Show SMILES Cc1cc(Oc2cccc(O)c2)cc(n1)-c1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-13-10-17(21-16-9-5-8-15(20)11-16)12-18(19-13)14-6-3-2-4-7-14/h2-12,20H,1H3
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39n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Plasmodium falciparum)
BDBM50399054
PNG
(CHEMBL2178851)
Show SMILES COc1cccc(Oc2cc(C)nc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N2O3/c1-13-10-16(22-15-5-3-4-14(11-15)20-2)12-17(18-13)19-6-8-21-9-7-19/h3-5,10-12H,6-9H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206084
PNG
(CHEMBL3899123)
Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C19H13FN4O4/c20-14-8-12(2-6-18(14)25)24-9-17(22-23-24)16-4-1-11-7-13(28-10-19(26)27)3-5-15(11)21-16/h1-9,25H,10H2,(H,26,27)
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48n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
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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52n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.074
BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206030
PNG
(CHEMBL3957289)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H26FN5O4/c26-21-16-19(2-6-25(21)32)31-17-24(28-29-31)23-4-1-18-15-20(3-5-22(18)27-23)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2
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74n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206094
PNG
(CHEMBL3960793)
Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C21H20FN5O3.C2HF3O2/c22-17-12-15(2-6-21(17)28)27-13-20(25-26-27)19-4-1-14-11-16(3-5-18(14)24-19)30-10-9-29-8-7-23;3-2(4,5)1(6)7/h1-6,11-13,28H,7-10,23H2;(H,6,7)
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144n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206089
PNG
(CHEMBL3906441)
Show SMILES COCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H22N4O4/c1-28-10-11-29-12-13-30-19-7-9-20-16(14-19)2-8-21(23-20)22-15-26(25-24-22)17-3-5-18(27)6-4-17/h2-9,14-15,27H,10-13H2,1H3
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147n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
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161n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
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))
BDBM50206085
PNG
(CHEMBL3924400)
Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N4O4/c24-14-4-2-13(3-5-14)23-10-18(21-22-23)17-7-1-12-9-15(27-11-19(25)26)6-8-16(12)20-17/h1-10,24H,11H2,(H,25,26)
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200n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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200n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206061
PNG
(CHEMBL3953102)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H
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230n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50206087
PNG
(CHEMBL3897449)
Show SMILES OC(=O)C(F)(F)F.NCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H17N5O2.C2HF3O2/c20-9-10-26-16-6-8-17-13(11-16)1-7-18(21-17)19-12-24(23-22-19)14-2-4-15(25)5-3-14;3-2(4,5)1(6)7/h1-8,11-12,25H,9-10,20H2;(H,6,7)
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260n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206086
PNG
(CHEMBL3943378)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCC3CCCCO3)ccc2n1
Show InChI InChI=1S/C23H22N4O3/c28-18-7-5-17(6-8-18)27-14-23(25-26-27)22-10-4-16-13-19(9-11-21(16)24-22)30-15-20-3-1-2-12-29-20/h4-11,13-14,20,28H,1-3,12,15H2
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270n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096004
PNG
(7-Hydroxy-3-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-y...)
Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3cc4ccccc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H
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280n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50013032
PNG
(CHEMBL1604170)
Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)
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348n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incub...


J Med Chem 57: 3737-45 (2014)


Article DOI: 10.1021/jm401908w
BindingDB Entry DOI: 10.7270/Q2QN68BR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206090
PNG
(CHEMBL3915405)
Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H21N5O3.C2HF3O2/c22-9-10-28-11-12-29-18-6-8-19-15(13-18)1-7-20(23-19)21-14-26(25-24-21)16-2-4-17(27)5-3-16;3-2(4,5)1(6)7/h1-8,13-14,27H,9-12,22H2;(H,6,7)
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360n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Plasmodium falciparum)
BDBM50399062
PNG
(CHEMBL2178843)
Show SMILES Oc1cccc(c1)-c1ccc(Oc2cccc(c2)C#N)cn1
Show InChI InChI=1S/C18H12N2O2/c19-11-13-3-1-6-16(9-13)22-17-7-8-18(20-12-17)14-4-2-5-15(21)10-14/h1-10,12,21H
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370n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Plasmodium falciparum)
BDBM50399048
PNG
(CHEMBL2178861)
Show SMILES COc1ccc(cc1)-c1cc(Oc2cc(C)cc(OC)c2)ccn1
Show InChI InChI=1S/C20H19NO3/c1-14-10-18(23-3)12-19(11-14)24-17-8-9-21-20(13-17)15-4-6-16(22-2)7-5-15/h4-13H,1-3H3
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370n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
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410n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.074
BindingDB Entry DOI: 10.7270/Q24X59PR
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))
BDBM50096003
PNG
(7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...)
Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
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470n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase


J Med Chem 52: 416-24 (2009)


Article DOI: 10.1021/jm801100v
BindingDB Entry DOI: 10.7270/Q208656D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096003
PNG
(7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...)
Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
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470n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096001
PNG
(7-Hydroxy-3-pyrazolo[1,5-a]pyridin-2-yl-chromen-2-...)
Show SMILES Oc1ccc2cc(-c3cc4ccccn4n3)c(=O)oc2c1
Show InChI InChI=1S/C16H10N2O3/c19-12-5-4-10-7-13(16(20)21-15(10)9-12)14-8-11-3-1-2-6-18(11)17-14/h1-9,19H
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500n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096001
PNG
(7-Hydroxy-3-pyrazolo[1,5-a]pyridin-2-yl-chromen-2-...)
Show SMILES Oc1ccc2cc(-c3cc4ccccn4n3)c(=O)oc2c1
Show InChI InChI=1S/C16H10N2O3/c19-12-5-4-10-7-13(16(20)21-15(10)9-12)14-8-11-3-1-2-6-18(11)17-14/h1-9,19H
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500n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase


J Med Chem 52: 416-24 (2009)


Article DOI: 10.1021/jm801100v
BindingDB Entry DOI: 10.7270/Q208656D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206093
PNG
(CHEMBL3925522)
Show SMILES OCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H16N4O3/c24-9-10-26-16-6-8-17-13(11-16)1-7-18(20-17)19-12-23(22-21-19)14-2-4-15(25)5-3-14/h1-8,11-12,24-25H,9-10H2
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530n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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550n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.074
BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50095993
PNG
(7-Hydroxy-2-oxo-2H-chromene-3-carbothioic acid ami...)
Show SMILES NC(=S)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C10H7NO3S/c11-9(15)7-3-5-1-2-6(12)4-8(5)14-10(7)13/h1-4,12H,(H2,11,15)
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550n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
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))
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))
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)


(Plasmodium falciparum)
BDBM50399056
PNG
(CHEMBL2178849)
Show SMILES COc1cc(C)cc(Oc2cc(C)nc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C18H22N2O3/c1-13-8-15(21-3)11-16(9-13)23-17-10-14(2)19-18(12-17)20-4-6-22-7-5-20/h8-12H,4-7H2,1-3H3
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1.20E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
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))
BDBM50206088
PNG
(CHEMBL3945050)
Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c24-19(25)12-26-15-7-9-16-13(10-15)6-8-17(20-16)18-11-23(22-21-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)
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1.37E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096002
PNG
(3-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-7-hydroxy...)
Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3ccc4OCOc4c3)c(=O)oc2c1
Show InChI InChI=1S/C19H11NO5S/c21-12-3-1-11-5-13(19(22)25-16(11)7-12)18-20-14(8-26-18)10-2-4-15-17(6-10)24-9-23-15/h1-8,21H,9H2
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1.50E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)


J Med Chem 44: 540-7 (2001)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
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)


(Plasmodium falciparum)
BDBM50399051
PNG
(CHEMBL2178855)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c1-13-10-17(22-16-9-5-6-14(11-16)12-19)21-18(20-13)15-7-3-2-4-8-15/h2-11H,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...


J Med Chem 55: 10148-59 (2012)


Article DOI: 10.1021/jm301269s
BindingDB Entry DOI: 10.7270/Q2FJ2HX7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50265450
PNG
(2-oxo-2-phenylethyl 7-hydroxy-2-oxo-2H-chromene-3-...)
Show SMILES Oc1ccc2cc(C(=O)OCC(=O)c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H12O6/c19-13-7-6-12-8-14(18(22)24-16(12)9-13)17(21)23-10-15(20)11-4-2-1-3-5-11/h1-9,19H,10H2
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1.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase


J Med Chem 52: 416-24 (2009)


Article DOI: 10.1021/jm801100v
BindingDB Entry DOI: 10.7270/Q208656D
More data for this
Ligand-Target Pair
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