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Compile Data Set for Download or QSAR

Found 478 hits of ic50 data for polymerid = 5134   
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))		BDBM648297
PNG
(1-(3-methoxy-4-(((5-(thiophen-2-yl)- 1,3,4-oxadiaz...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)N1CCCC(C1)C(O)=O
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n/an/a 6.92n/an/an/an/an/an/a


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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648295
PNG
(3'-methoxy-4'-((5-(thiophen-2-yl)- 1,3,4-oxadiazol...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)C1=CCC(CC1)C(O)=O |t:24|
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50327348
PNG
(3-(3-hydroxybenzyl)-6-methylbenzo[d]oxazol-2(3H)-o...)
Show SMILES Cc1ccc2n(Cc3cccc(O)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H13NO3/c1-10-5-6-13-14(7-10)19-15(18)16(13)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
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n/an/a 7.5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase

Bioorg Med Chem Lett 20: 5811-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.129
BindingDB Entry DOI: 10.7270/Q29Z955S
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648298
PNG
(2-((3-metboxy-4-((5-(thiophen-2-yl)- 1,3,4-oxadiaz...)
Show SMILES COc1cc(NC(C)(C)C(O)=O)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50327346
PNG
(3-(3-hydroxybenzyl)-5-methylbenzo[d]oxazol-2(3H)-o...)
Show SMILES Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1
Show InChI InChI=1S/C15H13NO3/c1-10-5-6-14-13(7-10)16(15(18)19-14)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase

Bioorg Med Chem Lett 20: 5811-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.129
BindingDB Entry DOI: 10.7270/Q29Z955S
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648281
PNG
(4-(2-hydroxyethoxy)-2-methoxy-N- (5-(thiophen-2-yl...)
Show SMILES COc1cc(OCCO)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648291
PNG
(4-(3-(2H-tetrazol-5-yl)propyl)-2- methoxy-N-(5-(th...)
Show SMILES COc1cc(CCCc2nn[nH]n2)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648286
PNG
(4-((2H-tetrazol-5-yl)methoxy)-2- methoxy-N-(5-(thi...)
Show SMILES COc1cc(OCc2nn[nH]n2)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648296
PNG
((3-methoxy-4-((5-(thiophen-2-yl)- 1,3,4-oxadiazol-...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)N1CCCC1C(O)=O
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648260
PNG
(2,4-dimethoxy-N-(5-(thiophen-3-yl)- 1,3,4-oxadiazo...)
Show SMILES COc1ccc(C(=O)Nc2nnc(o2)-c2ccsc2)c(OC)c1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648293
PNG
(Cis-4-(3-methoxy-4-((5-(thiophen-2- yl)-1,3,4-oxad...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)C1CC[C@@H](CC1)C(O)=O |r,wU:24.30,(-.11,-2.98,;-.51,-1.49,;.58,-.4,;2.07,-.8,;3.16,.29,;2.76,1.78,;1.27,2.18,;.18,1.09,;-1.3,1.49,;-1.7,2.98,;-2.39,.4,;-3.88,.8,;-4.36,2.26,;-5.9,2.26,;-6.37,.8,;-5.13,-.11,;-7.71,.03,;-8.95,.93,;-10.2,.03,;-9.72,-1.44,;-8.18,-1.44,;4.65,-.11,;5.04,-1.59,;6.53,-1.99,;7.62,-.9,;7.22,.58,;5.74,.98,;9.11,-1.3,;10.2,-.21,;9.51,-2.79,)|
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648289
PNG
(4-(3-cyanopropyl)-2-methoxy-N-(5- (thiophen-2-yl)-...)
Show SMILES COc1cc(CCCC#N)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648267
PNG
(2,4-dimethoxy-N-(5-(thiophen-2-yl)- 1,3,4-oxadiazo...)
Show SMILES COc1ccc(C(=O)Nc2nnc(o2)-c2cccs2)c(OC)c1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648282
PNG
(4-(2-(benzyloxy)ethoxy)-2-methoxy- N-(5-(thiophen-...)
Show SMILES COc1cc(OCCOCc2ccccc2)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648285
PNG
(2-(3-methoxy-4-((5-(thiophen-2-yl)- 1,3,4-oxadiazo...)
Show SMILES COc1cc(OC(C)(C)C(O)=O)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648283
PNG
(2-(3-methoxy-4-((5-(thiophen-2-yl)- 1,3,4-oxadiazo...)
Show SMILES COc1cc(OCC(O)=O)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648287
PNG
(2-methoxy-4-((2-((5-methyl-2-oxo- 1,3-dioxol-4-yl)...)
Show SMILES COc1cc(OCc2nnn(Cc3oc(=O)oc3C)n2)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648303
PNG
(2-methoxy-4-morpholino-N-(5- (thiophen-2-yl)-1,3,4...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)N1CCOCC1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(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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n/an/a 38n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged MIF tautomerization expressed in Escherichia coli BL21 (DE3) using D-dopachrome as substrate after 10 mins...

J Med Chem 61: 8104-8119 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00589
BindingDB Entry DOI: 10.7270/Q2KS6V5P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(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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n/an/a 38n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity expressed in Escherichia coli BL21 (DE3) using 4-hydroxyphenyl pyruvic acid as substrate

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


(Homo sapiens (Human))		BDBM50313986
PNG
(3-(3,4-dihydroxyphenyl)-4H-chromen-4-one | CHEMBL1...)
Show SMILES Oc1ccc(cc1O)-c1coc2ccccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-12-6-5-9(7-13(12)17)11-8-19-14-4-2-1-3-10(14)15(11)18/h1-8,16-17H
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n/an/a 38n/an/an/an/an/an/a



Sanofi-aventis

Curated by ChEMBL


Assay Description
Inhibition of MIF

Bioorg Med Chem Lett 20: 1821-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.009
BindingDB Entry DOI: 10.7270/Q2D79BJG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648294
PNG
(Trans-4-(3-methoxy-4-((5-(thiophen- 2-yl)-1,3,4-ox...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)C1CC[C@@H](CC1)C(O)=O |r,wD:24.30,(-.11,-2.98,;-.51,-1.49,;.58,-.4,;2.07,-.8,;3.16,.29,;2.76,1.78,;1.27,2.18,;.18,1.09,;-1.3,1.49,;-1.7,2.98,;-2.39,.4,;-3.88,.8,;-4.36,2.26,;-5.9,2.26,;-6.37,.8,;-5.13,-.11,;-7.71,.03,;-8.95,.93,;-10.2,.03,;-9.72,-1.44,;-8.18,-1.44,;4.65,-.11,;5.74,.98,;7.22,.58,;7.62,-.9,;6.53,-1.99,;5.04,-1.59,;9.11,-1.3,;10.2,-.21,;9.51,-2.79,)|
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648300
PNG
(2-methoxy-4-morpholino-N-(5- (thiazol-5-yl)-1,3,4-...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cncs1)N1CCOCC1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648288
PNG
(2-methoxy-4-((1-((5-methyl-2-oxo- 1,3-dioxol-4-yl)...)
Show SMILES COc1cc(OCc2nnnn2Cc2oc(=O)oc2C)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50326574
PNG
(6-phenylpyridazin-3-yl thiophene-2-carboxylate | C...)
Show SMILES O=C(Oc1ccc(nn1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
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n/an/a 50n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent

Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50326574
PNG
(6-phenylpyridazin-3-yl thiophene-2-carboxylate | C...)
Show SMILES O=C(Oc1ccc(nn1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
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Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity

Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648299
PNG
(4-(6-oxa-3-azabicyclo[3.1.1]heptan- 3-yl)-2-methox...)
Show SMILES COc1cc(ccc1C(=O)Nc1nnc(o1)-c1cccs1)N1CC2CC(C1)O2
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648264
PNG
(2,4-dimethoxy-N-(5-(thiazol-5-yl)- 1,3,4-oxadiazol...)
Show SMILES COc1ccc(C(=O)Nc2nnc(o2)-c2cncs2)c(OC)c1
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Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM33627
PNG
((1,3-benzoxazol-2-ylthio)formic acid butyl ester |...)
Show SMILES CCCCOC(=O)Sc1nc2ccccc2o1
Show InChI InChI=1S/C12H13NO3S/c1-2-3-8-15-12(14)17-11-13-9-6-4-5-7-10(9)16-11/h4-7H,2-3,8H2,1H3
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Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity

Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648280
PNG
(4-hydroxy-2-methoxy-N-(5- (thiophen-2-yl)-1,3,4-ox...)
Show SMILES COc1cc(O)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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n/an/a 81.3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50167982
PNG
(CHEMBL3797982)
Show SMILES Oc1ccc(cc1O)-c1cnc2ccccn12
Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-14-13-3-1-2-6-15(10)13/h1-8,16-17H
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n/an/a 110n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF (unknown origin) tautomerase activity using dopachrome as substrate

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


(Homo sapiens (Human))		BDBM50209085
PNG
(3-fluoro-4-hydroxybenzaldehyde (4-methoxyphenyl)hy...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(F)c1 |w:9.10|
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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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


(Homo sapiens (Human))		BDBM33627
PNG
((1,3-benzoxazol-2-ylthio)formic acid butyl ester |...)
Show SMILES CCCCOC(=O)Sc1nc2ccccc2o1
Show InChI InChI=1S/C12H13NO3S/c1-2-3-8-15-12(14)17-11-13-9-6-4-5-7-10(9)16-11/h4-7H,2-3,8H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent

Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648284
PNG
(4-(2-(dimethylamino)ethoxy)-2- methoxy-N-(5-(thiop...)
Show SMILES COc1cc(OCCN(C)C)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648279
PNG
(4-(benzyloxy)-2-methoxy-N-(5- (thiophen-2-yl)-1,3,...)
Show SMILES COc1cc(OCc2ccccc2)ccc1C(=O)Nc1nnc(o1)-c1cccs1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50209081
PNG
(3-chloro-4-hydroxybenzaldehyde (4-methoxyphenyl)hy...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(Cl)c1 |w:9.10|
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


(Homo sapiens (Human))		BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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n/an/a 250n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...

Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM648266
PNG
(N-(5-(3-fluorothiophen-2-yl)-1,3,4- oxadiazol-2-yl...)
Show SMILES COc1ccc(C(=O)Nc2nnc(o2)-c2sccc2F)c(OC)c1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50326573
PNG
(1-Phenyl-3-(2-thiazolyl)-2-thiourea | 1-phenyl-3-(...)
Show SMILES S=C(Nc1nncs1)Nc1ccccc1
Show InChI InChI=1S/C9H8N4S2/c14-8(12-9-13-10-6-15-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
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n/an/a 300n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity

Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50209089
PNG
(3-bromo-4-hydroxybenzaldehyde (4-methoxyphenyl)hyd...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(Br)c1 |w:9.10|
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


(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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n/an/a 360n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of MIF (unknown origin) tautomerase activity using 4-hydroxyphenyl pyruvic acid as substrate

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


(Homo sapiens (Human))		BDBM50458539
PNG
(CHICAGO SKY BLUE SODIUM | Chicago Sky Blue | Chica...)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#8]-c1cc(ccc1\[#7]=[#7]\c1ccc2c(cc(c(-[#7])c2c1-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)-c1ccc(\[#7]=[#7]\c2ccc3c(cc(c(-[#7])c3c2-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)c(-[#8]-[#6])c1
Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/b39-37+,40-38+
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TBA

Assay Description
Inhibition of recombinant biotinylated human MIF tautomerase activity expressed in Escherichia coli BL21 DE3 assessed as reduction in tautomerization...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00351
BindingDB Entry DOI: 10.7270/Q2CJ8J3J
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50458547
PNG
(CHEMBL4203719)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H16N2O2S/c23-18-12-10-17(11-13-18)21-20(25)22-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23H,(H2,21,22,24,25)
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n/an/a 370n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF (unknown origin) tautomerase activity using dopa as substrate

J Med Chem 61: 8104-8119 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00589
BindingDB Entry DOI: 10.7270/Q2KS6V5P
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50458539
PNG
(CHICAGO SKY BLUE SODIUM | Chicago Sky Blue | Chica...)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#8]-c1cc(ccc1\[#7]=[#7]\c1ccc2c(cc(c(-[#7])c2c1-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)-c1ccc(\[#7]=[#7]\c2ccc3c(cc(c(-[#7])c3c2-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)c(-[#8]-[#6])c1
Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/b39-37+,40-38+
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TBA

Assay Description
Inhibition of recombinant human MIF expressed in Escherichia coli BL21 DE3 binding to recombinant soluble human CD74 receptor ectodomain (73 to 232 r...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00351
BindingDB Entry DOI: 10.7270/Q2CJ8J3J
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50180758
PNG
(4-((pyridin-4-ylthio)methyl)benzene-1,2-diol | CHE...)
Show SMILES Oc1ccc(CSc2ccncc2)cc1O
Show InChI InChI=1S/C12H11NO2S/c14-11-2-1-9(7-12(11)15)8-16-10-3-5-13-6-4-10/h1-7,14-15H,8H2
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n/an/a 400n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of MIF

J Med Chem 49: 523-33 (2006)


Article DOI: 10.1021/jm050480a
BindingDB Entry DOI: 10.7270/Q2HD7V63
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50167987
PNG
(CHEMBL3799453)
Show SMILES Oc1ccc(\C=N\OC(=O)c2cccnc2)cc1F
Show InChI InChI=1S/C13H9FN2O3/c14-11-6-9(3-4-12(11)17)7-16-19-13(18)10-2-1-5-15-8-10/h1-8,17H/b16-7+
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n/an/a 410n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF (unknown origin) tautomerase activity using dopachrome as substrate

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


(Homo sapiens (Human))		BDBM50326573
PNG
(1-Phenyl-3-(2-thiazolyl)-2-thiourea | 1-phenyl-3-(...)
Show SMILES S=C(Nc1nncs1)Nc1ccccc1
Show InChI InChI=1S/C9H8N4S2/c14-8(12-9-13-10-6-15-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
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n/an/a 420n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent

Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50553880
PNG
(CHEMBL4761710)
Show SMILES Oc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50209090
PNG
(4-hydroxybenzaldehyde (4-methoxyphenyl)hydrazone |...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)cc1 |w:9.10|
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


(Homo sapiens (Human))		BDBM648304
PNG
(2,4-dimethoxy-N-((5-(thiophen-2-yl)- 1,3,4-oxadiaz...)
Show SMILES COc1ccc(C(=O)NCc2nnc(o2)-c2cccs2)c(OC)c1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
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