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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 = 'BDBM50280114'   
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))
BDBM50280114
PNG
(CHEMBL4160035)
Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
75n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...


ACS Med Chem Lett 8: 1287-1291 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00384
BindingDB Entry DOI: 10.7270/Q2GB26JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50280114
PNG
(CHEMBL4160035)
Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/a 111n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...


ACS Med Chem Lett 8: 1287-1291 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00384
BindingDB Entry DOI: 10.7270/Q2GB26JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)