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PubMed code 16420039

Compile data set for download or QSAR
Found 5 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


(Homo sapiens (Human))
BDBM50180758
PNG
(4-((pyridin-4-ylthio)methyl)benzene-1,2-diol | CHE...)
Show SMILES Oc1ccc(CSc2ccncc2)cc1O
Show InChI InChI=1S/C12H11NO2S/c14-11-2-1-9(7-12(11)15)8-16-10-3-5-13-6-4-10/h1-7,14-15H,8H2
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of MIF


J Med Chem 49: 523-33 (2006)


Article DOI: 10.1021/jm050480a
BindingDB Entry DOI: 10.7270/Q2HD7V63
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM31729
PNG
(8-bromanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qu...)
Show SMILES OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|
Show InChI InChI=1S/C13H12BrNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)
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Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of MIF


J Med Chem 49: 523-33 (2006)


Article DOI: 10.1021/jm050480a
BindingDB Entry DOI: 10.7270/Q2HD7V63
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50180759
PNG
(5-isobutyramido-6-(2-(naphthalen-1-yl)ethyl)-3-(th...)
Show SMILES CC(C)C(=O)Nc1cc2C(CC(C(O)=O)c2cc1CCc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C30H29NO3S/c1-18(2)29(32)31-27-17-24-23(26(30(33)34)16-25(24)28-11-6-14-35-28)15-21(27)13-12-20-9-5-8-19-7-3-4-10-22(19)20/h3-11,14-15,17-18,25-26H,12-13,16H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 8.00E+3n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of MIF


J Med Chem 49: 523-33 (2006)


Article DOI: 10.1021/jm050480a
BindingDB Entry DOI: 10.7270/Q2HD7V63
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50180756
PNG
(3,3,3-tris(4-chlorophenyl)propanoic acid | CHEMBL2...)
Show SMILES OC(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)
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n/an/a 8.10E+3n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of MIF


J Med Chem 49: 523-33 (2006)


Article DOI: 10.1021/jm050480a
BindingDB Entry DOI: 10.7270/Q2HD7V63
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50180757
PNG
((4-benzylpiperazin-1-yl)(2-(3-cyclohexylpropyl)oxa...)
Show SMILES O=C(N1CCN(Cc2ccccc2)CC1)c1cnc(CCCC2CCCCC2)o1
Show InChI InChI=1S/C24H33N3O2/c28-24(27-16-14-26(15-17-27)19-21-10-5-2-6-11-21)22-18-25-23(29-22)13-7-12-20-8-3-1-4-9-20/h2,5-6,10-11,18,20H,1,3-4,7-9,12-17,19H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of MIF


J Med Chem 49: 523-33 (2006)


Article DOI: 10.1021/jm050480a
BindingDB Entry DOI: 10.7270/Q2HD7V63
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%