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PubMed code 22088307

Compile data set for download or QSAR
Found 10 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))
BDBM50359714
PNG
(CHEMBL1927069)
Show SMILES COc1cc(ccc1O)C1=NOC(COc2ccc(C=O)cc2)C1
Show InChI InChI=1S/C18H17NO5/c1-22-18-8-13(4-7-17(18)21)16-9-15(24-19-16)11-23-14-5-2-12(10-20)3-6-14/h2-8,10,15,21H,9,11H2,1H3
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Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359718
PNG
(CHEMBL1927059)
Show SMILES COc1cc(ccc1O)C1=NOC(CC(O)=O)C1
Show InChI InChI=1S/C12H13NO5/c1-17-11-4-7(2-3-10(11)14)9-5-8(18-13-9)6-12(15)16/h2-4,8,14H,5-6H2,1H3,(H,15,16)
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Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359713
PNG
(CHEMBL1927067)
Show SMILES CCCCOC(=O)CC1CC(=NO1)c1ccc(OC)cc1
Show InChI InChI=1S/C16H21NO4/c1-3-4-9-20-16(18)11-14-10-15(17-21-14)12-5-7-13(19-2)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
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Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359716
PNG
(CHEMBL1927057)
Show SMILES OC(=O)CC1CC(=NO1)c1ccc(O)cc1
Show InChI InChI=1S/C11H11NO4/c13-8-3-1-7(2-4-8)10-5-9(16-12-10)6-11(14)15/h1-4,9,13H,5-6H2,(H,14,15)
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Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359717
PNG
(CHEMBL1927058)
Show SMILES COc1ccc(cc1)C1=NOC(CC(O)=O)C1
Show InChI InChI=1S/C12H13NO4/c1-16-9-4-2-8(3-5-9)11-6-10(17-13-11)7-12(14)15/h2-5,10H,6-7H2,1H3,(H,14,15)
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Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359712
PNG
(CHEMBL1927066)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(OC)cc1
Show InChI InChI=1S/C13H15NO4/c1-16-10-5-3-9(4-6-10)12-7-11(18-14-12)8-13(15)17-2/h3-6,11H,7-8H2,1-2H3
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Article
PubMed
n/an/a 1.97E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359719
PNG
(CHEMBL1927060)
Show SMILES COC(=O)C1CC(=NO1)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C13H15NO5/c1-16-10-5-4-8(6-11(10)17-2)9-7-12(19-14-9)13(15)18-3/h4-6,12H,7H2,1-3H3
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Article
PubMed
n/an/a 2.52E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359720
PNG
(CHEMBL1927061)
Show SMILES COc1ccc(cc1OC)C1=NOC(C1)C(C)=O
Show InChI InChI=1S/C13H15NO4/c1-8(15)12-7-10(14-18-12)9-4-5-11(16-2)13(6-9)17-3/h4-6,12H,7H2,1-3H3
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UniChem
Article
PubMed
n/an/a 3.54E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359715
PNG
(CHEMBL1927070)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(OC(=O)CC2CC(=NO2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H24N2O7/c1-29-17-7-3-15(4-8-17)22-12-20(33-26-22)14-24(28)31-18-9-5-16(6-10-18)21-11-19(32-25-21)13-23(27)30-2/h3-10,19-20H,11-14H2,1-2H3
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Article
PubMed
n/an/a 3.72E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50359711
PNG
(CHEMBL1927064)
Show SMILES COc1ccc(cc1)C1=NOC(CC(=O)Oc2cc(C)ccc2C(C)C)C1
Show InChI InChI=1S/C22H25NO4/c1-14(2)19-10-5-15(3)11-21(19)26-22(24)13-18-12-20(23-27-18)16-6-8-17(25-4)9-7-16/h5-11,14,18H,12-13H2,1-4H3
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Article
PubMed
n/an/a 5.53E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...


Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%