BDBM50502612 CHEMBL4539935

SMILES B1(c2cc(ccc2CO1)C(=O)O)O

InChI Key InChIKey=VXDGEAYKTHEYPI-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50502612   

TargetCarbonic anhydrase 12(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50502612(CHEMBL4539935)
Affinity DataKi:  59nMAssay Description:Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50502612(CHEMBL4539935)
Affinity DataKi:  173nMAssay Description:Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50502612(CHEMBL4539935)
Affinity DataKi:  400nMAssay Description:Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50502612(CHEMBL4539935)
Affinity DataKi:  850nMAssay Description:Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50502612(CHEMBL4539935)
Affinity DataKi:  1.42E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed