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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Macrophage migration inhibitory factor' and Ligand = 'BDBM50298010'   
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))
BDBM50298010
PNG
(CHEMBL559258 | N-cyclohexyl-3-(3-(3-(3-fluoro-4-hy...)
Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:9|
Show InChI InChI=1S/C20H23FN4O4/c21-14-10-12(6-7-16(14)26)15-11-17(28-24-15)20-23-19(29-25-20)9-8-18(27)22-13-4-2-1-3-5-13/h6-7,10,13,17,26H,1-5,8-9,11H2,(H,22,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Piramal Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells


Bioorg Med Chem Lett 19: 4773-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.052
BindingDB Entry DOI: 10.7270/Q2Z0387W
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50298010
PNG
(CHEMBL559258 | N-cyclohexyl-3-(3-(3-(3-fluoro-4-hy...)
Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:9|
Show InChI InChI=1S/C20H23FN4O4/c21-14-10-12(6-7-16(14)26)15-11-17(28-24-15)20-23-19(29-25-20)9-8-18(27)22-13-4-2-1-3-5-13/h6-7,10,13,17,26H,1-5,8-9,11H2,(H,22,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Piramal Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of dopachrome tautomerase activity of human recombinant MIF


Bioorg Med Chem Lett 19: 4773-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.052
BindingDB Entry DOI: 10.7270/Q2Z0387W
More data for this
Ligand-Target Pair