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BDBM50186434 (R)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate::3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER::CHEMBL211769

SMILES: COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1

InChI Key: InChIKey=AIXMJTYHQHQJLU-UEQNJFAPNA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50186434   
Target
(Institution)
LigandTarget
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 (MIF)


(Homo sapiens (Human))
BDBM50186434
PNG
((R)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1 |r,c:7|
Show InChI InChI=1/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/s2
PDB
MMDB

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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of MIF tautomerase activity


Bioorg Med Chem Lett 16: 3376-9 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186434
PNG
((R)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1 |r,c:7|
Show InChI InChI=1/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/s2
PDB
MMDB

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n/an/a 1.44E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incubated for 30 ...


J Med Chem 57: 3737-45 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50186434
PNG
((R)-methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxa...)
Show SMILES COC(=O)C[C@H]1CC(=NO1)c1ccc(O)cc1 |r,c:7|
Show InChI InChI=1/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/s2
PDB
MMDB

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CHEMBL
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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MIF tautomerase


J Med Chem 52: 416-24 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)