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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 = 'BDBM50298019'   
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))
BDBM50298019
PNG
(CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...)
Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11|
Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(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 2.00E+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))
BDBM50298019
PNG
(CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...)
Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11|
Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(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 2.20E+4n/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
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50298019
PNG
(CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...)
Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11|
Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(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 2.90E+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