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Found 537 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))
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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n/an/an/a 63n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50280113
PNG
(CHEMBL4170679)
Show SMILES OC(=O)Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C18H12FN5O4/c19-12-7-11(2-4-15(12)25)24-8-14(21-22-24)13-3-1-10-5-6-23(9-16(26)27)18(28)17(10)20-13/h1-8,25H,9H2,(H,26,27)
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n/an/an/a 94n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50280114
PNG
(CHEMBL4160035)
Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
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n/an/an/a 111n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206030
PNG
(CHEMBL3957289 | US10336721, Example 22)
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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n/an/an/a 150n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

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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n/an/an/a 160n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384 | US10336721, Example 21)
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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n/an/an/a 210n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50280115
PNG
(CHEMBL4169208)
Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3
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n/an/an/a 213n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206061
PNG
(CHEMBL3953102 | US10336721, Example 1)
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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n/an/an/a 260n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 350n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
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=1/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-/s2
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n/an/an/a 2.31E+4n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
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=1/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-/s2
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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))
BDBM50491189
PNG
(CHEMBL2375653)
Show SMILES C[C@H]1C[C@@]23OC(=O)\C(C2=O)=C2\OC\C(\C=C2)=C/[C@H](O)C\C=C\C(\C)=C\[C@@]3(C)C=C1C
Show InChI InChI=1S/C25H28O5/c1-15-6-5-7-19(26)10-18-8-9-20(29-14-18)21-22(27)25(30-23(21)28)13-17(3)16(2)12-24(25,4)11-15/h5-6,8-12,17,19,26H,7,13-14H2,1-4H3/b6-5+,15-11+,18-10-,21-20+/t17-,19+,24-,25+/m0/s1
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n/an/an/a 3.59E+4n/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant MIF expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetric assay


J Nat Prod 76: 817-23 (2013)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50458540
PNG
(CHEMBL4204890)
Show SMILES CC(C)CC(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3
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n/an/an/a 5.51E+4n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to human MIF by Trp based fluorescent spectroscopy


J Med Chem 61: 8104-8119 (2018)

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 | US10336721, Example 32)
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))
BDBM50206092
PNG
(CHEMBL3917143 | US10336721, Example 32)
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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23n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206091
PNG
(CHEMBL3918231 | US10336721, Example 25)
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))
BDBM403784
PNG
(US10336721, Example 43)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCCOC=O)ccc2n1
Show InChI InChI=1S/C21H17FN4O4/c22-17-11-15(3-7-21(17)28)26-12-20(24-25-26)19-5-2-14-10-16(4-6-18(14)23-19)30-9-1-8-29-13-27/h2-7,10-13,28H,1,8-9H2
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34n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
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)


(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))
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)


(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)


(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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM403783
PNG
(US10336721, Example 42)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2ccc(OCCCOC=O)cc2n1
Show InChI InChI=1S/C21H17FN4O4/c22-17-10-15(4-7-21(17)28)26-12-20(24-25-26)18-6-3-14-2-5-16(11-19(14)23-18)30-9-1-8-29-13-27/h2-7,10-13,28H,1,8-9H2
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43n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
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))
BDBM403785
PNG
(US10336721, Example 44)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCOC=O)ccc2n1
Show InChI InChI=1S/C21H17FN4O5/c22-17-10-15(2-6-21(17)28)26-11-20(24-25-26)19-4-1-14-9-16(3-5-18(14)23-19)31-8-7-29-13-30-12-27/h1-6,9-12,28H,7-8,13H2
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45n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

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=1/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))
BDBM50458538
PNG
(CHEMBL4208992)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)NCCCCCNC(=O)CCCOc4ccc5nc(ccc5c4)-c4cn(nn4)-c4ccc(O)c(F)c4)ccc23)c1
Show InChI InChI=1S/C47H40FN7O8S/c48-37-23-29(8-17-41(37)58)55-26-40(53-54-55)39-15-6-27-21-32(11-16-38(27)52-39)61-20-4-5-44(59)49-18-2-1-3-19-50-46(64)51-28-7-12-34-33(22-28)45(60)63-47(34)35-13-9-30(56)24-42(35)62-43-25-31(57)10-14-36(43)47/h6-17,21-26,56-58H,1-5,18-20H2,(H,49,59)(H2,50,51,64)
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56n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition


J Med Chem 61: 8104-8119 (2018)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206092
PNG
(CHEMBL3917143 | US10336721, Example 32)
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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57n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition


J Med Chem 61: 8104-8119 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50458543
PNG
(CHEMBL4208079)
Show SMILES OC(=O)c1cc(ccc1Oc1cccc(c1)-c1ccc(OCCCN2CCOCC2)cc1)-c1c[nH]nc1F
Show InChI InChI=1S/C29H28FN3O5/c30-28-26(19-31-32-28)22-7-10-27(25(18-22)29(34)35)38-24-4-1-3-21(17-24)20-5-8-23(9-6-20)37-14-2-11-33-12-15-36-16-13-33/h1,3-10,17-19H,2,11-16H2,(H,31,32)(H,34,35)
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67n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 20 mins followed by substrate addition meas...


J Med Chem 61: 8104-8119 (2018)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206030
PNG
(CHEMBL3957289 | US10336721, Example 22)
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))
BDBM50206030
PNG
(CHEMBL3957289 | US10336721, Example 22)
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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50280114
PNG
(CHEMBL4160035)
Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
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75n/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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206091
PNG
(CHEMBL3918231 | US10336721, Example 25)
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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82n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50280113
PNG
(CHEMBL4170679)
Show SMILES OC(=O)Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C18H12FN5O4/c19-12-7-11(2-4-15(12)25)24-8-14(21-22-24)13-3-1-10-5-6-23(9-16(26)27)18(28)17(10)20-13/h1-8,25H,9H2,(H,26,27)
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90n/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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50270470
PNG
(CHEMBL4094592)
Show SMILES Cc1ccc2oc(=S)n(Cc3cccc(O)c3)c2c1
Show InChI InChI=1S/C15H13NO2S/c1-10-5-6-14-13(7-10)16(15(19)18-14)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
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100n/an/an/an/an/an/an/an/a



Hospital Marie Lannelongue

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity using 4-HPP as substrate preincubated for 15 mins followed by substrate addition measured af...


J Med Chem 61: 2725-2736 (2018)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM403776
PNG
(US10336721, Example 35)
Show SMILES OC(=O)c1ccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)cc1
Show InChI InChI=1S/C24H15FN4O4/c25-18-12-15(6-11-22(18)30)29-13-21(27-28-29)20-10-9-17-19(26-20)2-1-3-23(17)33-16-7-4-14(5-8-16)24(31)32/h1-13,30H,(H,31,32)
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110n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM403781
PNG
(US10336721, Example 40)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cccc(Oc3cccc(OC=O)c3)c2n1
Show InChI InChI=1S/C24H15FN4O4/c25-19-11-16(8-10-22(19)31)29-13-21(27-28-29)20-9-7-15-3-1-6-23(24(15)26-20)33-18-5-2-4-17(12-18)32-14-30/h1-14,31H
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US Patent
112n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM403779
PNG
(US10336721, Example 38)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2c(Oc3cccc(OCCOCCN4CCOCC4)c3)cccc2n1
Show InChI InChI=1S/C31H30FN5O5/c32-26-19-22(7-10-30(26)38)37-21-29(34-35-37)28-9-8-25-27(33-28)5-2-6-31(25)42-24-4-1-3-23(20-24)41-18-17-40-16-13-36-11-14-39-15-12-36/h1-10,19-21,38H,11-18H2
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128n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

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))
BDBM50206030
PNG
(CHEMBL3957289 | US10336721, Example 22)
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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US Patent
150n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


US Patent US10336721 (2019)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384 | US10336721, Example 21)
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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160n/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 decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)

More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384 | US10336721, Example 21)
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
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