BDBM50095995 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER::7-Hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester::CHEMBL155103::ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate

SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O

InChI Key InChIKey=IETDBZQIWIJQJG-UHFFFAOYSA-N

Data  4 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 6 hits for monomerid = 50095995   

Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Human)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM50095995(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Affinity DataKi:  94nMAssay Description:Binding affinity to PFKFB3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMacrophage migration inhibitory factor(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50095995(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Affinity DataKi:  7.40E+3nMAssay Description:Inhibition of human recombinant MIF tautomeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetMacrophage migration inhibitory factor(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50095995(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Affinity DataKi:  7.40E+3nMAssay Description:Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetMacrophage migration inhibitory factor(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50095995(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Affinity DataKi:  1.24E+4nMAssay Description:Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

Target6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3(Human)
Liaocheng University

Curated by ChEMBL
LigandPNGBDBM50095995(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Affinity DataIC50:  183nMAssay Description:Inhibition of PFKFB3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMacrophage migration inhibitory factor(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50095995(7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...)
Affinity DataIC50:  1.86E+4nMAssay Description:Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)