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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))
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 (MIF)


(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 (MIF)


(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 (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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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 (MIF)


(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 (MIF)


(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


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 (MIF)


(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 80n/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 (MIF)


(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 (MIF)


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



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


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


(Homo sapiens (Human))
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 (MIF)


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



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


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


(Homo sapiens (Human))
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 (MIF)


(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 (MIF)


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



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


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


(Homo sapiens (Human))
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 (MIF)


(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 (MIF)


(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 (MIF)


(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 (MIF)


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



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


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


(Homo sapiens (Human))
BDBM50265523
PNG
(3-benzyl-5-methylbenzo[d]oxazol-2(3H)-one | CHEMBL...)
Show SMILES Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C15H13NO2/c1-11-7-8-14-13(9-11)16(15(17)18-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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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 (MIF)


(Homo sapiens (Human))
BDBM50073651
PNG
(CHEMBL3409229)
Show SMILES NS(=O)(=O)c1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)
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n/an/a 500n/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 (MIF)


(Homo sapiens (Human))
BDBM50298023
PNG
(2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1
Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2
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n/an/a 500n/an/an/an/an/an/a



Piramal Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells


Bioorg Med Chem Lett 19: 4773-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.052
BindingDB Entry DOI: 10.7270/Q2Z0387W
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50265523
PNG
(3-benzyl-5-methylbenzo[d]oxazol-2(3H)-one | CHEMBL...)
Show SMILES Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C15H13NO2/c1-11-7-8-14-13(9-11)16(15(17)18-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a 500n/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))
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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n/an/a 530n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


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 (MIF)


(Homo sapiens (Human))
BDBM50073664
PNG
(CHEMBL3409226)
Show SMILES Fc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
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n/an/a 540n/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 (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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n/an/a 540n/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 (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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n/an/a 550n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incubated for 30 ...


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))
BDBM50265470
PNG
((R)-tert-butyl 2-(3-(3-fluoro-4-hydroxyphenyl)-4,5...)
Show SMILES CC(C)(C)OC(=O)C[C@H]1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C15H18FNO4/c1-15(2,3)20-14(19)8-10-7-12(17-21-10)9-4-5-13(18)11(16)6-9/h4-6,10,18H,7-8H2,1-3H3/t10-/m1/s1
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n/an/a 550n/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))
BDBM50186440
PNG
((R)-1-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroiso...)
Show SMILES CC(C)(C)CC(=O)C[C@H]1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H20FNO3/c1-16(2,3)9-11(19)7-12-8-14(18-21-12)10-4-5-15(20)13(17)6-10/h4-6,12,20H,7-9H2,1-3H3/t12-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


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


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


(Homo sapiens (Human))
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 570n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent 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
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50073650
PNG
(CHEMBL81201)
Show SMILES COc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


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 (MIF)


(Homo sapiens (Human))
BDBM50073651
PNG
(CHEMBL3409229)
Show SMILES NS(=O)(=O)c1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)
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n/an/a 750n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


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 (MIF)


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



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


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


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


(Homo sapiens (Human))
BDBM50331393
PNG
(4-(1-(2,3-dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)p...)
Show SMILES COc1cccc(Cn2cc(nn2)-c2ccc(O)cc2)c1OC
Show InChI InChI=1S/C17H17N3O3/c1-22-16-5-3-4-13(17(16)23-2)10-20-11-15(18-19-20)12-6-8-14(21)9-7-12/h3-9,11,21H,10H2,1-2H3
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n/an/a 750n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate


Bioorg Med Chem Lett 20: 7033-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.118
BindingDB Entry DOI: 10.7270/Q2RX9CB6
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50298023
PNG
(2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1
Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2
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n/an/a 800n/an/an/an/an/an/a



Piramal Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of dopachrome tautomerase activity of human recombinant MIF


Bioorg Med Chem Lett 19: 4773-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.052
BindingDB Entry DOI: 10.7270/Q2Z0387W
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50349068
PNG
(CHEMBL1807940)
Show SMILES Oc1ccc2c(c1)sn(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C13H8ClNO2S/c14-8-1-3-9(4-2-8)15-13(17)11-6-5-10(16)7-12(11)18-15/h1-7,16H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate


Bioorg Med Chem Lett 21: 4545-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.127
BindingDB Entry DOI: 10.7270/Q20K28Z3
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50327353
PNG
(3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one | CHEMBL...)
Show SMILES Fc1ccc2oc(=O)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C14H10FNO2/c15-11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 1.00E+3n/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 (MIF)


(Homo sapiens (Human))
BDBM50073653
PNG
(1-PHENYLETHYL ISOTHIOCYANATE)
Show SMILES CC(N=C=S)c1ccccc1
Show InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


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 (MIF)


(Homo sapiens (Human))
BDBM47541
PNG
(1-(2-chlorophenyl)-3-(2-pyridinyl)thiourea | 1-(2-...)
Show SMILES Clc1ccccc1NC(=S)Nc1ccccn1
Show InChI InChI=1S/C12H10ClN3S/c13-9-5-1-2-6-10(9)15-12(17)16-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17)
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n/an/a 1.01E+3n/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 (MIF)


(Homo sapiens (Human))
BDBM47541
PNG
(1-(2-chlorophenyl)-3-(2-pyridinyl)thiourea | 1-(2-...)
Show SMILES Clc1ccccc1NC(=S)Nc1ccccn1
Show InChI InChI=1S/C12H10ClN3S/c13-9-5-1-2-6-10(9)15-12(17)16-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17)
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n/an/a 1.04E+3n/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 (MIF)


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



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


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


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


(Homo sapiens (Human))
BDBM50073733
PNG
((R)-(1-Isothiocyanatoethyl)Benzene | CHEMBL2151314)
Show SMILES C[C@@H](N=C=S)c1ccccc1
Show InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
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n/an/a 1.10E+3n/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 (MIF)


(Homo sapiens (Human))
BDBM50073661
PNG
(CHEMBL3409223)
Show SMILES Clc1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


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 (MIF)


(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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University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


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 (MIF)


(Homo sapiens (Human))
BDBM50073730
PNG
(CHEMBL3409411)
Show SMILES CCC(N=C=S)c1ccc(OC)cc1
Show InChI InChI=1S/C11H13NOS/c1-3-11(12-8-14)9-4-6-10(13-2)7-5-9/h4-7,11H,3H2,1-2H3
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n/an/a 1.20E+3n/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 (MIF)


(Homo sapiens (Human))
BDBM50073657
PNG
(CHEMBL3409218)
Show SMILES Oc1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C9H9NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,11H,5-6H2
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n/an/a 1.20E+3n/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 (MIF)


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



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF-mediated dopachrome tautomerase activity


J Biol Chem 282: 23089-95 (2007)


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


(Homo sapiens (Human))
BDBM50073716
PNG
((3-Isothiocyanatopropyl)Benzene | CHEMBL54380)
Show SMILES S=C=NCCCc1ccccc1
Show InChI InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
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n/an/a 1.40E+3n/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 (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))
BDBM50186443
PNG
(CHEMBL210592 | US8618147, 16 | neopentyl 2-(3-(4-h...)
Show SMILES CC(C)(C)COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C16H21NO4/c1-16(2,3)10-20-15(19)9-13-8-14(17-21-13)11-4-6-12(18)7-5-11/h4-7,13,18H,8-10H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


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


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