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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 = 'BDBM50458540'   
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))
BDBM50458540
PNG
(CHEMBL4204890)
Show SMILES CC(C)CC(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.09E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF using HPP as substrate


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
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50458540
PNG
(CHEMBL4204890)
Show SMILES CC(C)CC(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.51E+4n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to human MIF by Trp based fluorescent spectroscopy


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