BDBM50205563 CHEMBL3969810

SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O

InChI Key InChIKey=XHXARUOKKJEWLI-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50205563   

TargetCarbonic anhydrase 7(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50205563(CHEMBL3969810)
Affinity DataKi:  45nMAssay Description:Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2018
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50205563(CHEMBL3969810)
Affinity DataKi:  3.69E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2018
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50205563(CHEMBL3969810)
Affinity DataKi:  6.81E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2018
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50205563(CHEMBL3969810)
Affinity DataKi:  7.30E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2018
Entry Details Article
PubMed