BDBM50462455 CHEMBL3250749

SMILES c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N

InChI Key InChIKey=JHUGCRSKMUFKHR-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  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 = 50462455   

TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50462455(CHEMBL3250749)
Affinity DataKi:  65nMAssay Description:Inhibition of recombinant human CA2 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50462455(CHEMBL3250749)
Affinity DataKi:  143nMAssay Description:Inhibition of recombinant human CA9 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50462455(CHEMBL3250749)
Affinity DataKi:  167nMAssay Description:Inhibition of recombinant human CA1 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50462455(CHEMBL3250749)
Affinity DataKi:  234nMAssay Description:Inhibition of recombinant human CA4 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed