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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50040730   
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)


(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)


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



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


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



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


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



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


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



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


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



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


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



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399059
PNG
(CHEMBL2178846)
Show SMILES COc1cc(Cl)cc(Oc2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C16H17ClN2O3/c1-20-14-8-12(17)9-15(10-14)22-13-2-3-18-16(11-13)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3
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2.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399049
PNG
(CHEMBL2178858)
Show SMILES Oc1ccc(cc1)-c1cc(Oc2cccc(O)c2)ccn1
Show InChI InChI=1S/C17H13NO3/c19-13-6-4-12(5-7-13)17-11-16(8-9-18-17)21-15-3-1-2-14(20)10-15/h1-11,19-20H
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3.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399053
PNG
(CHEMBL2178852)
Show SMILES COc1cccc(Oc2cc(C)nc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2O2/c1-13-11-17(22-16-10-6-9-15(12-16)21-2)20-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399060
PNG
(CHEMBL2178845)
Show SMILES COc1cc(C)cc(Oc2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N2O3/c1-13-9-15(20-2)11-16(10-13)22-14-3-4-18-17(12-14)19-5-7-21-8-6-19/h3-4,9-12H,5-8H2,1-2H3
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5.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399065
PNG
(CHEMBL2178837)
Show SMILES Oc1cccc(Oc2ccc(nc2)-c2cccc(O)c2)c1
Show InChI InChI=1S/C17H13NO3/c19-13-4-1-3-12(9-13)17-8-7-16(11-18-17)21-15-6-2-5-14(20)10-15/h1-11,19-20H
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6.90E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399058
PNG
(CHEMBL2178847)
Show SMILES CCOc1cccc(Oc2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N2O3/c1-2-21-14-4-3-5-15(12-14)22-16-6-7-18-17(13-16)19-8-10-20-11-9-19/h3-7,12-13H,2,8-11H2,1H3
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6.90E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399057
PNG
(CHEMBL2178848)
Show SMILES CCOc1cccc(Oc2cc(C)nc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C18H22N2O3/c1-3-22-15-5-4-6-16(12-15)23-17-11-14(2)19-18(13-17)20-7-9-21-10-8-20/h4-6,11-13H,3,7-10H2,1-2H3
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7.20E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399050
PNG
(CHEMBL2178857)
Show SMILES COc1cccc(Oc2cc(C)nc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C19H17NO2/c1-14-11-18(22-17-10-6-9-16(12-17)21-2)13-19(20-14)15-7-4-3-5-8-15/h3-13H,1-2H3
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7.70E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399072
PNG
(CHEMBL2178826)
Show SMILES Oc1cccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)c1
Show InChI InChI=1S/C15H13F3N2O3/c16-11-13(23-10-3-1-2-9(21)8-10)12(17)15(19-14(11)18)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2
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8.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399055
PNG
(CHEMBL2178850)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)cc(n1)N1CCOCC1
Show InChI InChI=1S/C17H17N3O2/c1-13-9-16(22-15-4-2-3-14(10-15)12-18)11-17(19-13)20-5-7-21-8-6-20/h2-4,9-11H,5-8H2,1H3
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1.13E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399071
PNG
(CHEMBL2178828)
Show SMILES Oc1cccc(Oc2c(F)c(nc(F)c2Cl)N2CCOCC2)c1
Show InChI InChI=1S/C15H13ClF2N2O3/c16-11-13(23-10-3-1-2-9(21)8-10)12(17)15(19-14(11)18)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2
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1.55E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399069
PNG
(CHEMBL2178830)
Show SMILES Cc1cc(Oc2cccc(O)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-12-10-16(21-15-9-5-8-14(20)11-15)19-17(18-12)13-6-3-2-4-7-13/h2-11,20H,1H3
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1.93E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399074
PNG
(CHEMBL2178863)
Show SMILES Oc1cccc(NC2=NC(=O)C(S2)=Cc2cccc(O)c2)c1
Show InChI InChI=1S/C16H12N2O3S/c19-12-5-1-3-10(7-12)8-14-15(21)18-16(22-14)17-11-4-2-6-13(20)9-11/h1-9,19-20H,(H,17,18,21)
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2.06E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399066
PNG
(CHEMBL2178833)
Show SMILES COc1cccc(Oc2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C16H18N2O3/c1-19-13-3-2-4-14(11-13)21-15-5-6-17-16(12-15)18-7-9-20-10-8-18/h2-6,11-12H,7-10H2,1H3
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2.29E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399073
PNG
(CHEMBL2178867)
Show SMILES NC(=O)CSc1nc2ccccc2c2nc(Cc3c[nH]c4ccccc34)c(O)n12
Show InChI InChI=1S/C21H17N5O2S/c22-18(27)11-29-21-25-16-8-4-2-6-14(16)19-24-17(20(28)26(19)21)9-12-10-23-15-7-3-1-5-13(12)15/h1-8,10,23,28H,9,11H2,(H2,22,27)
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2.54E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399070
PNG
(CHEMBL2178829)
Show SMILES Oc1cccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)c1
Show InChI InChI=1S/C16H15F3N2O2/c17-12-14(23-11-6-4-5-10(22)9-11)13(18)16(20-15(12)19)21-7-2-1-3-8-21/h4-6,9,22H,1-3,7-8H2
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2.86E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399067
PNG
(CHEMBL2178832)
Show SMILES Oc1cccc(Oc2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C15H16N2O3/c18-12-2-1-3-13(10-12)20-14-4-5-16-15(11-14)17-6-8-19-9-7-17/h1-5,10-11,18H,6-9H2
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4.34E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399063
PNG
(CHEMBL2178841)
Show SMILES COc1cccc(Oc2ccc(nc2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C19H17NO3/c1-21-15-6-3-5-14(11-15)19-10-9-18(13-20-19)23-17-8-4-7-16(12-17)22-2/h3-13H,1-2H3
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5.72E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399064
PNG
(CHEMBL2178838)
Show SMILES Oc1ccc(cc1)-c1ccc(Oc2cccc(O)c2)cn1
Show InChI InChI=1S/C17H13NO3/c19-13-6-4-12(5-7-13)17-9-8-16(11-18-17)21-15-3-1-2-14(20)10-15/h1-11,19-20H
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6.76E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399052
PNG
(CHEMBL2178853)
Show SMILES Cc1cc(Oc2ccc(O)cc2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-12-11-16(21-15-9-7-14(20)8-10-15)19-17(18-12)13-5-3-2-4-6-13/h2-11,20H,1H3
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9.33E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM61233
PNG
(4-[(3,4-diketo-1-naphthyl)amino]benzenesulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)16(20)13-4-2-1-3-12(13)14/h1-9,18H,(H2,17,21,22)
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9.90E+4n/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))
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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1.01E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human MIF


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399061
PNG
(CHEMBL2178844)
Show SMILES COc1cc(OC)cc(Oc2ccnc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N2O4/c1-20-14-9-15(21-2)11-16(10-14)23-13-3-4-18-17(12-13)19-5-7-22-8-6-19/h3-4,9-12H,5-8H2,1-2H3
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1.22E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


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


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM50399068
PNG
(CHEMBL2178831)
Show SMILES COc1ccc(cc1)-c1nnc2ccc(Oc3cccc(O)c3)nn12
Show InChI InChI=1S/C18H14N4O3/c1-24-14-7-5-12(6-8-14)18-20-19-16-9-10-17(21-22(16)18)25-15-4-2-3-13(23)11-15/h2-11,23H,1H3
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1.22E+5n/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))
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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2.70E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human MIF


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))
BDBM92409
PNG
(Epoxyazadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1
Show InChI InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human MIF


J Med Chem 55: 10148-59 (2012)


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


(Plasmodium falciparum)
BDBM92409
PNG
(Epoxyazadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1
Show InChI InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
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n/an/a 1.00E+4n/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