BDBM50542427 CHEMBL589993

SMILES COc1cc(\C=C\C(=O)c2ccc(Br)cc2)cc(OC)c1OC

InChI Key InChIKey=GHQYAKZDBZTTSS-UHFFFAOYSA-N

Data  4 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50542427   

TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50542427(CHEMBL589993)
Affinity DataKi:  5.10nMAssay Description:Binding affinity to human CA1 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50542427(CHEMBL589993)
Affinity DataKi:  5.10nMAssay Description:Inhibition of human CA1More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50542427(CHEMBL589993)
Affinity DataKi:  12nMAssay Description:Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50542427(CHEMBL589993)
Affinity DataKi:  12nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Wright State University

Curated by ChEMBL
LigandPNGBDBM50542427(CHEMBL589993)
Affinity DataIC50: 2.46E+4nMAssay Description:Inhibition of GFP-tagged KRAS G12V mutant (unknown origin) expressed in MDCK cells cotransfected with mCherry-CAXX assessed as increase in KRAS G12V-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed