BDBM50300203 (S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one::6-(1S-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one::CHEMBL572366

SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C

InChI Key InChIKey=ZRXJDVGAMZQYJX-LBPRGKRZSA-N

Data  38 KI

  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 38 hits for monomerid = 50300203   

TargetZn finger protein(Nicotiana tabacum)
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  48.6nMAssay Description:Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  54.5nMAssay Description:Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  59nMAssay Description:Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  59nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  59nMAssay Description:Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  62nMAssay Description:Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  78nMAssay Description:Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  78nMAssay Description:Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  78nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  78nMAssay Description:Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  80nMAssay Description:Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  98nMAssay Description:Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  3.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  3.80E+3nMAssay Description:Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 15(Mus musculus)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  3.80E+3nMAssay Description:Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  6.70E+3nMAssay Description:Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  7.80E+3nMAssay Description:Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  7.86E+3nMAssay Description:Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  8.30E+3nMAssay Description:Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  9.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  9.60E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  1.59E+4nMAssay Description:Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  1.77E+4nMAssay Description:Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  2.79E+4nMAssay Description:Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  3.57E+4nMAssay Description:Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  4.25E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  4.86E+4nMAssay Description:Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  4.86E+4nMAssay Description:Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  4.86E+4nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  5.45E+4nMAssay Description:Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  5.45E+4nMAssay Description:Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  5.45E+4nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 15(Mus musculus)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  9.31E+4nMAssay Description:Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi:  9.60E+4nMAssay Description:Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi: >5.00E+5nMAssay Description:Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Affinity DataKi: >5.00E+5nMAssay Description:Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed