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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 = 'BDBM50298008'   
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))
BDBM50298008
PNG
(3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...)
Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10|
Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+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))
BDBM50298008
PNG
(3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...)
Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10|
Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.00E+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))
BDBM50298008
PNG
(3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...)
Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10|
Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)
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