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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50167986   
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))
BDBM50167986
PNG
(CHEMBL3798149 | US10336721, Example 2 | US10968198...)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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MMDB

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PC cid
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PDB
Article
PubMed
200n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149 | US10336721, Example 2 | US10968198...)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
550n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.074
BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149 | US10336721, Example 2 | US10968198...)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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US Patent
570n/an/an/an/an/an/an/an/a



Yale University

US Patent


Assay Description
Data obtained for the Example compounds, obtained using the methods described in Example B.


US Patent US10968198 (2021)


BindingDB Entry DOI: 10.7270/Q2DJ5JR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149 | US10336721, Example 2 | US10968198...)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
PDB
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PCBioAssay
570n/an/an/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RR1WNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149 | US10336721, Example 2 | US10968198...)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
650n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition


J Med Chem 61: 8104-8119 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00589
BindingDB Entry DOI: 10.7270/Q2KS6V5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)