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Compile Data Set for Download or QSAR

Found 15 hits from and The New York School of Medicine   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50209085
PNG
(3-fluoro-4-hydroxybenzaldehyde (4-methoxyphenyl)hy...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(F)c1
Show InChI InChI=1S/C14H13FN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3
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UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209081
PNG
(3-chloro-4-hydroxybenzaldehyde (4-methoxyphenyl)hy...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C14H13ClN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3
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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209089
PNG
(3-bromo-4-hydroxybenzaldehyde (4-methoxyphenyl)hyd...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)c(Br)c1
Show InChI InChI=1S/C14H13BrN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3
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UniChem
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PubMed
n/an/a 330n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209090
PNG
(4-hydroxybenzaldehyde (4-methoxyphenyl)hydrazone |...)
Show SMILES COc1ccc(cc1)N=NCc1ccc(O)cc1
Show InChI InChI=1S/C14H14N2O2/c1-18-14-8-4-12(5-9-14)16-15-10-11-2-6-13(17)7-3-11/h2-9,17H,10H2,1H3
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Article
PubMed
n/an/a 480n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50113768
PNG
((S)-methyl 2-(4-hydroxybenzylideneamino)-3-(1H-ind...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O3/c1-24-19(23)18(20-11-13-6-8-15(22)9-7-13)10-14-12-21-17-5-3-2-4-16(14)17/h2-9,11-12,18,21-22H,10H2,1H3/b20-11+/t18-/m0/s1
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209091
PNG
(4-hydroxybenzaldehyde phenylhydrazone | CHEMBL2240...)
Show SMILES Oc1ccc(CN=Nc2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O/c16-13-8-6-11(7-9-13)10-14-15-12-4-2-1-3-5-12/h1-9,16H,10H2
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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209092
PNG
(CHEMBL221727 | tert-butyl-2-(4-hydroxybenzylidene)...)
Show SMILES CC(C)(C)OC(=O)NN=Cc1ccc(O)cc1
Show InChI InChI=1S/C12H16N2O3/c1-12(2,3)17-11(16)14-13-8-9-4-6-10(15)7-5-9/h4-8,15H,1-3H3,(H,14,16)
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209080
PNG
(CHEMBL384671 | methyl 2-(3-(4-hydroxyphenyl)-4,5-d...)
Show SMILES COC(=O)CC1CON=C1c1ccc(O)cc1
Show InChI InChI=1S/C12H13NO4/c1-16-11(15)6-9-7-17-13-12(9)8-2-4-10(14)5-3-8/h2-5,9,14H,6-7H2,1H3
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UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209083
PNG
(4-methoxybenzyl-2-(4-hydroxybenzylidene)hydrazinec...)
Show SMILES COc1ccc(COC(=O)NN=Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H16N2O4/c1-21-15-8-4-13(5-9-15)11-22-16(20)18-17-10-12-2-6-14(19)7-3-12/h2-10,19H,11H2,1H3,(H,18,20)
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Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209087
PNG
(CHEMBL221786 | benzyl-2-(4-hydroxybenzylidene)hydr...)
Show SMILES Oc1ccc(C=NNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O3/c18-14-8-6-12(7-9-14)10-16-17-15(19)20-11-13-4-2-1-3-5-13/h1-10,18H,11H2,(H,17,19)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209084
PNG
(CHEMBL221832 | ethyl -2-(4-hydroxybenzylidene)hydr...)
Show SMILES CCOC(=O)NN=Cc1ccc(O)cc1
Show InChI InChI=1S/C10H12N2O3/c1-2-15-10(14)12-11-7-8-3-5-9(13)6-4-8/h3-7,13H,2H2,1H3,(H,12,14)
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Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209093
PNG
(4-hydroxybenzaldehyde methylhydrazone | CHEMBL2233...)
Show SMILES CN=NCc1ccc(O)cc1
Show InChI InChI=1S/C8H10N2O/c1-9-10-6-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3
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Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209086
PNG
(CHEMBL374968 | methyl-2-(4-hydroxybenzylidene)hydr...)
Show SMILES COC(=O)NN=Cc1ccc(O)cc1
Show InChI InChI=1S/C9H10N2O3/c1-14-9(13)11-10-6-7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H,11,13)
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Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209088
PNG
(4-hydroxybenzaldehyde methyl(phenyl)hydrazone | CH...)
Show SMILES CN(\N=C\c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C14H14N2O/c1-16(13-5-3-2-4-6-13)15-11-12-7-9-14(17)10-8-12/h2-11,17H,1H3/b15-11+
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Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50209082
PNG
(4-hydroxybenzaldehyde hydrazone | CHEMBL222174)
Show SMILES Oc1ccc(CN=N)cc1
Show InChI InChI=1S/C7H8N2O/c8-9-5-6-1-3-7(10)4-2-6/h1-4,8,10H,5H2
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



and The New York School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity by spectrophotometric assay


J Med Chem 50: 1993-7 (2007)


Article DOI: 10.1021/jm061477+
BindingDB Entry DOI: 10.7270/Q23X869D
More data for this
Ligand-Target Pair