BindingDB logo
myBDB logout

BDBM50458544 CHEBI:29132::CHEMBL33232

SMILES: [#6]-[#6](=O)\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1

InChI Key: InChIKey=URNSECGXFRDEDC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50458544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50458544
PNG
(CHEBI:29132 | CHEMBL33232)
Show SMILES CC(=O)N=C1C=CC(=O)C=C1
Show InChI InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity after 5 to 20 mins in presence of BSA by dopachrome tautomerase assay


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