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PubMed code 16682188

Compile data set for download or QSAR
Found 22 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))
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))
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))
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))
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
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186445
PNG
(CHEMBL209401 | US8618147, 14 | cyclohexyl 2-(3-(4-...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)OC2CCCCC2)C1
Show InChI InChI=1S/C17H21NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h6-9,14-15,19H,1-5,10-11H2
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n/an/a 2.50E+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
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186429
PNG
(CHEMBL210755 | US8618147, 13 | butyl 2-(3-(4-hydro...)
Show SMILES CCCCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C15H19NO4/c1-2-3-8-19-15(18)10-13-9-14(16-20-13)11-4-6-12(17)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
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n/an/a 3.00E+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))
BDBM50186439
PNG
(CHEMBL208659 | US8618147, 11 | propyl 2-(3-(4-hydr...)
Show SMILES CCCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C14H17NO4/c1-2-7-18-14(17)9-12-8-13(15-19-12)10-3-5-11(16)6-4-10/h3-6,12,16H,2,7-9H2,1H3
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n/an/a 4.00E+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))
BDBM50186430
PNG
(CHEMBL377184 | US8618147, 15 | cyclohexylmethyl 2-...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)OCC2CCCCC2)C1
Show InChI InChI=1S/C18H23NO4/c20-15-8-6-14(7-9-15)17-10-16(23-19-17)11-18(21)22-12-13-4-2-1-3-5-13/h6-9,13,16,20H,1-5,10-12H2
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n/an/a 5.00E+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))
BDBM50186425
PNG
(CHEMBL208716 | US8618147, 12 | isopropyl 2-(3-(4-h...)
Show SMILES CC(C)OC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C14H17NO4/c1-9(2)18-14(17)8-12-7-13(15-19-12)10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3
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n/an/a 6.00E+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))
BDBM50186427
PNG
(CHEMBL212313 | methyl 2-(3-(3-fluoro-4-hydroxyphen...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)c(F)c1
Show InChI InChI=1S/C12H12FNO4/c1-17-12(16)6-8-5-10(14-18-8)7-2-3-11(15)9(13)4-7/h2-4,8,15H,5-6H2,1H3
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n/an/a 6.50E+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
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186434
PNG
((R)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/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/t10-/m1/s1
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n/an/a 7.00E+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
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186431
PNG
(CHEMBL210529 | US8618147, 8 | tert-butyl 4-(2-(3-(...)
Show SMILES CC(C)(C)OC(=O)NCCCCNC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C20H29N3O5/c1-20(2,3)27-19(26)22-11-5-4-10-21-18(25)13-16-12-17(23-28-16)14-6-8-15(24)9-7-14/h6-9,16,24H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
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n/an/a 8.50E+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
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186433
PNG
(4-methoxyphenyl 2-(3-(4-hydroxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H17NO5/c1-22-14-6-8-15(9-7-14)23-18(21)11-16-10-17(19-24-16)12-2-4-13(20)5-3-12/h2-9,16,20H,10-11H2,1H3
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n/an/a 8.50E+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
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186432
PNG
(4-tert-butylphenyl 2-(3-(4-hydroxyphenyl)-4,5-dihy...)
Show SMILES CC(C)(C)c1ccc(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C21H23NO4/c1-21(2,3)15-6-10-17(11-7-15)25-20(24)13-18-12-19(22-26-18)14-4-8-16(23)9-5-14/h4-11,18,23H,12-13H2,1-3H3
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n/an/a 1.00E+4n/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))
BDBM50186424
PNG
(CHEMBL377038 | US8618147, 2 | phenyl 2-(3-(4-hydro...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)Oc2ccccc2)C1
Show InChI InChI=1S/C17H15NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
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n/an/a 1.00E+4n/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))
BDBM50186426
PNG
(CHEMBL210858 | US8618147, ISO-1 | methyl 2-(3-(4-h...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/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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n/an/a 1.10E+4n/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
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186442
PNG
(CHEMBL208658 | US8618147, 10 | ethyl 2-(3-(4-hydro...)
Show SMILES CCOC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C13H15NO4/c1-2-17-13(16)8-11-7-12(14-18-11)9-3-5-10(15)6-4-9/h3-6,11,15H,2,7-8H2,1H3
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n/an/a 1.20E+4n/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))
BDBM50186436
PNG
((S)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@@H]1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/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/t10-/m0/s1
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n/an/a 1.30E+4n/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))
BDBM50186435
PNG
(CHEMBL378265 | US8618147, 5 | mesityl 2-(3-(4-hydr...)
Show SMILES Cc1cc(C)c(OC(=O)CC2CC(=NO2)c2ccc(O)cc2)c(C)c1
Show InChI InChI=1S/C20H21NO4/c1-12-8-13(2)20(14(3)9-12)24-19(23)11-17-10-18(21-25-17)15-4-6-16(22)7-5-15/h4-9,17,22H,10-11H2,1-3H3
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n/an/a 2.00E+4n/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))
BDBM50186441
PNG
(CHEMBL210426 | N-cyclohexyl-2-(3-(4-hydroxyphenyl)...)
Show SMILES Oc1ccc(cc1)C1=NOC(CC(=O)NC2CCCCC2)C1
Show InChI InChI=1S/C17H22N2O3/c20-14-8-6-12(7-9-14)16-10-15(22-19-16)11-17(21)18-13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H,18,21)
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n/an/a 2.40E+4n/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))
BDBM50186428
PNG
(2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-N...)
Show SMILES COc1ccc(NC(=O)CC2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-8-4-13(5-9-15)19-18(22)11-16-10-17(20-24-16)12-2-6-14(21)7-3-12/h2-9,16,21H,10-11H2,1H3,(H,19,22)
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n/an/a 2.60E+4n/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))
BDBM50186437
PNG
(CHEMBL377311 | N-(4-aminobutyl)-2-(3-(4-hydroxyphe...)
Show SMILES NCCCCNC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C15H21N3O3/c16-7-1-2-8-17-15(20)10-13-9-14(18-21-13)11-3-5-12(19)6-4-11/h3-6,13,19H,1-2,7-10,16H2,(H,17,20)
PDB
MMDB

KEGG

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Article
PubMed
n/an/a>1.00E+5n/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
* indicates data uncertainty>20%