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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Macrophage migration inhibitory factor' and Ligand = 'BDBM50298020'   
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))
BDBM50298020
PNG
(2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9|
Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Piramal Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA


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))
BDBM50298020
PNG
(2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9|
Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.90E+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))
BDBM50298020
PNG
(2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9|
Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)
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