BDBM50180264 CHEMBL3814976

SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Br)cc2)C(=O)CCC3)s1

InChI Key InChIKey=AXIHBIYBPWUMDF-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50180264   

TargetCarbonic anhydrase 2(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50180264(CHEMBL3814976)
Affinity DataKi:  2.80nMAssay Description:Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50180264(CHEMBL3814976)
Affinity DataKi:  35nMAssay Description:Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50180264(CHEMBL3814976)
Affinity DataKi:  95nMAssay Description:Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50180264(CHEMBL3814976)
Affinity DataKi:  426nMAssay Description:Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2017
Entry Details Article
PubMed