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SMILES: Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1

InChI Key: InChIKey=QBGLVEXGOZXCRT-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50298025   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50298025
PNG
(1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9|
Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.50E+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))
BDBM50298025
PNG
(1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9|
Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2
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))
BDBM50298025
PNG
(1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...)
Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9|
Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+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