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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50012071   
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


(Homo sapiens (Human))
BDBM50553887
PNG
(CHEMBL4779696)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
PDB
MMDB

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71n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553872
PNG
(CHEMBL4794376)
Show SMILES COc1ccc(cc1OC)N1Cc2ccc(O)cc2OC1=O
PDB
MMDB

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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553880
PNG
(CHEMBL4761710)
Show SMILES Oc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1
PDB
MMDB

KEGG

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310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553871
PNG
(CHEMBL1392132)
Show SMILES COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
PDB
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370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553883
PNG
(CHEMBL4791357)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1cc2ccccc2cn1
PDB
MMDB

KEGG

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440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553874
PNG
(CHEMBL4797003)
Show SMILES Cc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
PDB
MMDB

KEGG

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460n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553881
PNG
(CHEMBL4739944)
Show SMILES Oc1ccc2cc(-c3ccc(I)cc3)c(=O)oc2c1
PDB
MMDB

KEGG

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480n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553873
PNG
(CHEMBL3739747)
Show SMILES Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
PDB
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610n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553886
PNG
(CHEMBL4741927)
Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)nn1
PDB
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960n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50096003
PNG
(7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...)
Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
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1.17E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553876
PNG
(CHEMBL4800460)
Show SMILES COc1cccc(c1)-c1cc2ccc(O)cc2oc1=O
PDB
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1.23E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553878
PNG
(CHEMBL4760818)
Show SMILES Oc1ccc2cc(-c3cccc(Cl)c3)c(=O)oc2c1
PDB
MMDB

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1.29E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553875
PNG
(CHEMBL4798868)
Show SMILES Oc1ccc2cc(-c3ccc4ccccc4c3)c(=O)oc2c1
PDB
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1.46E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM51568
PNG
(3-(4-fluorophenyl)-7-hydroxy-1-benzopyran-2-one | ...)
Show SMILES Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C15H9FO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
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1.69E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553877
PNG
(CHEMBL1801021)
Show SMILES COc1ccccc1-c1cc2ccc(O)cc2oc1=O
PDB
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1.85E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553885
PNG
(CHEMBL4745151)
Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1
PDB
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3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(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
PDB
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4.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553882
PNG
(CHEMBL4751935)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccccn1
PDB
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5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553884
PNG
(CHEMBL4787577)
Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(F)c1
PDB
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8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50095995
PNG
(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Show SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
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1.24E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553879
PNG
(CHEMBL4776234)
Show SMILES Oc1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1
PDB
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1.27E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50186426
PNG
(CHEMBL210858 | US10336721, ISO-1 | US10968198, ISO...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:7|
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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4.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553880
PNG
(CHEMBL4761710)
Show SMILES Oc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1
PDB
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553871
PNG
(CHEMBL1392132)
Show SMILES COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
PDB
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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553874
PNG
(CHEMBL4797003)
Show SMILES Cc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
PDB
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n/an/a 690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553881
PNG
(CHEMBL4739944)
Show SMILES Oc1ccc2cc(-c3ccc(I)cc3)c(=O)oc2c1
PDB
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n/an/a 720n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553873
PNG
(CHEMBL3739747)
Show SMILES Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
PDB
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n/an/a 920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50096003
PNG
(7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...)
Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
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n/an/a 1.76E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553876
PNG
(CHEMBL4800460)
Show SMILES COc1cccc(c1)-c1cc2ccc(O)cc2oc1=O
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n/an/a 1.85E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553878
PNG
(CHEMBL4760818)
Show SMILES Oc1ccc2cc(-c3cccc(Cl)c3)c(=O)oc2c1
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n/an/a 1.93E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553875
PNG
(CHEMBL4798868)
Show SMILES Oc1ccc2cc(-c3ccc4ccccc4c3)c(=O)oc2c1
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n/an/a 2.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM51568
PNG
(3-(4-fluorophenyl)-7-hydroxy-1-benzopyran-2-one | ...)
Show SMILES Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C15H9FO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
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n/an/a 2.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553877
PNG
(CHEMBL1801021)
Show SMILES COc1ccccc1-c1cc2ccc(O)cc2oc1=O
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n/an/a 2.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50095995
PNG
(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Show SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
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n/an/a 1.86E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553879
PNG
(CHEMBL4776234)
Show SMILES Oc1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1
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n/an/a 1.91E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553887
PNG
(CHEMBL4779696)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
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n/an/a 3.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) assessed as inhibition of MIF interaction wi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(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/an/a 2.90E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553886
PNG
(CHEMBL4741927)
Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)nn1
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n/an/an/a 1.40E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553885
PNG
(CHEMBL4745151)
Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1
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n/an/an/a 4.40E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553884
PNG
(CHEMBL4787577)
Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(F)c1
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n/an/an/a 5.60E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553883
PNG
(CHEMBL4791357)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1cc2ccccc2cn1
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n/an/an/a 470n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553882
PNG
(CHEMBL4751935)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccccn1
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n/an/an/a 4.00E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553872
PNG
(CHEMBL4794376)
Show SMILES COc1ccc(cc1OC)N1Cc2ccc(O)cc2OC1=O
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n/an/an/a 110n/an/an/an/an/a


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Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50186426
PNG
(CHEMBL210858 | US10336721, ISO-1 | US10968198, ISO...)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:7|
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/an/a 4.70E+4n/an/an/an/an/a


TBA

Assay Description
Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553887
PNG
(CHEMBL4779696)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
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n/an/an/a 16n/an/an/an/an/a


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Assay Description
Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) at 200 nM by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553871
PNG
(CHEMBL1392132)
Show SMILES COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
PDB
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n/an/an/a 390n/an/an/an/an/a


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Assay Description
Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) at 100 nM by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50553872
PNG
(CHEMBL4794376)
Show SMILES COc1ccc(cc1OC)N1Cc2ccc(O)cc2OC1=O
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n/an/an/a 156n/an/an/an/an/a


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Assay Description
Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) at 100 nM by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01160
BindingDB Entry DOI: 10.7270/Q2KW5KPR
More data for this
Ligand-Target Pair