BDBM54376 6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester::6-hexyl-7-hydroxy-2-keto-chromene-3-carboxylic acid ethyl ester::6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester::MLS000777587::SMR000413981::cid_5545047::ethyl 6-hexyl-7-hydroxy-2-oxochromene-3-carboxylate::ethyl 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate

SMILES CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O

InChI Key InChIKey=YXRPKEAKGALMDS-UHFFFAOYSA-N

Data  7 KI  2 IC50  2 EC50

  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 11 hits for monomerid = 54376   

TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Universit£

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  4.80nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita` Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  5.30nMAssay Description:Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universita` Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  58nMAssay Description:Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Mycobacterium tuberculosis)
Universit£

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  63nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  781nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  781nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universita` Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataKi:  2.15E+3nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataIC50:  6.52E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataEC50:  1.28E+4nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataEC50:  5.81E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54376(6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...)
Affinity DataIC50:  7.71E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay