BDBM50180263 CHEMBL3814420

SMILES Cc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key InChIKey=FZUSOUIIKCKUND-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50180263   

TargetCarbonic anhydrase 2(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50180263(CHEMBL3814420)
Affinity DataKi:  2.20nMAssay 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
LigandPNGBDBM50180263(CHEMBL3814420)
Affinity DataKi:  8.10nMAssay 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
LigandPNGBDBM50180263(CHEMBL3814420)
Affinity DataKi:  40nMAssay 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
LigandPNGBDBM50180263(CHEMBL3814420)
Affinity DataKi:  96nMAssay 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