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Patent code US10336721

Compile Data Set for Download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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)


(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))
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))
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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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))
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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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))
BDBM403771
PNG
(US10336721, Example 30)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2ccc(OCCOCCN3CCOCC3)cc2n1
Show InChI InChI=1S/C25H26FN5O4/c26-21-15-19(3-6-25(21)32)31-17-24(28-29-31)22-5-2-18-1-4-20(16-23(18)27-22)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2
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290n/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))
BDBM403780
PNG
(US10336721, Example 39)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cccc(Oc3ccc(OC=O)cc3)c2n1
Show InChI InChI=1S/C24H15FN4O4/c25-19-12-16(5-11-22(19)31)29-13-21(27-28-29)20-10-4-15-2-1-3-23(24(15)26-20)33-18-8-6-17(7-9-18)32-14-30/h1-14,31H
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296n/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))
BDBM403775
PNG
(US10336721, Example 34)
Show SMILES C#Cc1ccc2cc(OCCOCCNC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2n1
Show InChI InChI=1S/C34H30N2O2/c1-2-31-19-18-27-26-32(20-21-33(27)36-31)38-25-24-37-23-22-35-34(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h1,3-21,26,35H,22-25H2
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330n/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))
BDBM403766
PNG
(US10336721, Example 24)
Show SMILES COCCOc1ccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H22N4O4/c1-32-15-16-33-20-9-11-21(12-10-20)34-26-4-2-3-23-22(26)13-14-24(27-23)25-17-30(29-28-25)18-5-7-19(31)8-6-18/h2-14,17,31H,15-16H2,1H3
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360n/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))
BDBM403760
PNG
(US10336721, Example 18)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2c(Oc3ccccc3)cccc2n1
Show InChI InChI=1S/C23H16N4O2/c28-17-11-9-16(10-12-17)27-15-22(25-26-27)21-14-13-19-20(24-21)7-4-8-23(19)29-18-5-2-1-3-6-18/h1-15,28H
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370n/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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410n/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))
BDBM403778
PNG
(US10336721, Example 37)
Show SMILES NCc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1
Show InChI InChI=1S/C24H18FN5O2/c25-19-12-16(7-10-23(19)31)30-14-22(28-29-30)21-9-8-18-20(27-21)5-2-6-24(18)32-17-4-1-3-15(11-17)13-26/h1-12,14,31H,13,26H2
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568n/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))
BDBM50167986
PNG
(CHEMBL3798149 | US10336721, Example 2)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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570n/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))
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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590n/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))
BDBM403769
PNG
(US10336721, Example 28)
Show SMILES NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H21N5O3/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/h1-8,13-14,27H,9-12,22H2
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770n/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))
BDBM403770
PNG
(US10336721, Example 29)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccc(OCCOCCN3CCOCC3)cc2n1
Show InChI InChI=1S/C25H27N5O4/c31-21-5-3-20(4-6-21)30-18-25(27-28-30)23-8-2-19-1-7-22(17-24(19)26-23)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
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850n/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))
BDBM403768
PNG
(US10336721, Example 26)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cccnc2n1
Show InChI InChI=1S/C16H11N5O/c22-13-6-4-12(5-7-13)21-10-15(19-20-21)14-8-3-11-2-1-9-17-16(11)18-14/h1-10,22H
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1.48E+3n/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))
BDBM403761
PNG
(US10336721, Example 19)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C24H25N5O3/c30-20-5-3-19(4-6-20)29-17-24(26-27-29)23-8-2-18-16-21(7-9-22(18)25-23)32-13-1-10-28-11-14-31-15-12-28/h2-9,16-17,30H,1,10-15H2
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1.95E+3n/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))
BDBM403782
PNG
(US10336721, Example 41)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2ccc(OCOC=O)cc2n1
Show InChI InChI=1S/C19H13FN4O4/c20-15-7-13(3-6-19(15)26)24-9-18(22-23-24)16-5-2-12-1-4-14(8-17(12)21-16)28-11-27-10-25/h1-10,26H,11H2
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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))
BDBM403756
PNG
(US10336721, Example 12)
Show SMILES Cc1cc(nc2ccccc12)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14N4O/c1-12-10-17(19-16-5-3-2-4-15(12)16)18-11-22(21-20-18)13-6-8-14(23)9-7-13/h2-11,23H,1H3
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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))
BDBM403772
PNG
(US10336721, Example 31)
Show SMILES COCCOc1ccc2nc(ncc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H17N5O3/c1-26-8-9-27-16-6-7-17-13(10-16)11-20-19(21-17)18-12-24(23-22-18)14-2-4-15(25)5-3-14/h2-7,10-12,25H,8-9H2,1H3
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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))
BDBM403759
PNG
(US10336721, Example 17)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cccc(Oc3ccccc3)c2n1
Show InChI InChI=1S/C23H16N4O2/c28-18-12-10-17(11-13-18)27-15-21(25-26-27)20-14-9-16-5-4-8-22(23(16)24-20)29-19-6-2-1-3-7-19/h1-15,28H
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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))
BDBM403762
PNG
(US10336721, Example 20)
Show SMILES Cc1cc2cc(OCCCN3CCOCC3)ccc2nc1-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H27N5O3/c1-18-15-19-16-22(33-12-2-9-29-10-13-32-14-11-29)7-8-23(19)26-25(18)24-17-30(28-27-24)20-3-5-21(31)6-4-20/h3-8,15-17,31H,2,9-14H2,1H3
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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))
BDBM403774
PNG
(US10336721, Example 33)
Show SMILES Oc1c(F)cc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H25F2N5O4/c26-20-14-18(15-21(27)25(20)33)32-16-24(29-30-32)23-3-1-17-13-19(2-4-22(17)28-23)36-12-11-35-10-7-31-5-8-34-9-6-31/h1-4,13-16,33H,5-12H2
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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))
BDBM403777
PNG
(US10336721, Example 36)
Show SMILES Fc1ccc(cc1F)-n1cc(nn1)-c1ccc2c(Oc3cccc(OC=O)c3)cccc2n1
Show InChI InChI=1S/C24H14F2N4O3/c25-19-9-7-15(11-20(19)26)30-13-23(28-29-30)22-10-8-18-21(27-22)5-2-6-24(18)33-17-4-1-3-16(12-17)32-14-31/h1-14H
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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))
BDBM403755
PNG
(US10336721, Example 11)
Show SMILES Cc1cc2ccccc2nc1-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14N4O/c1-12-10-13-4-2-3-5-16(13)19-18(12)17-11-22(21-20-17)14-6-8-15(23)9-7-14/h2-11,23H,1H3
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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))
BDBM403753
PNG
(US10336721, Example 3)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O2/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(22-18)20-13-25(24-23-20)16-5-3-15(21)4-6-16/h2-9,12-13H,10-11H2,1H3
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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))
BDBM50186426
PNG
(CHEMBL210858 | US10336721, ISO-1 | US8618147, ISO-...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
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2.10E+4n/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))
BDBM403765
PNG
(US10336721, Example 23)
Show SMILES Fc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H26FN5O3/c26-20-2-4-21(5-3-20)31-18-25(28-29-31)24-7-1-19-17-22(6-8-23(19)27-24)34-16-15-33-14-11-30-9-12-32-13-10-30/h1-8,17-18H,9-16H2
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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))
BDBM403757
PNG
(US10336721, Example 14)
Show SMILES COc1cccc2ccc(nc12)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN4O/c1-24-17-4-2-3-12-5-10-15(20-18(12)17)16-11-23(22-21-16)14-8-6-13(19)7-9-14/h2-11H,1H3
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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))
BDBM403758
PNG
(US10336721, Example 15)
Show SMILES COCCOc1cccc2ccc(nc12)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O2/c1-26-11-12-27-19-4-2-3-14-5-10-17(22-20(14)19)18-13-25(24-23-18)16-8-6-15(21)7-9-16/h2-10,13H,11-12H2,1H3
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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
* indicates data uncertainty>20%