BDBM50539851 CHEMBL4643353

SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNC(=O)Nc3cccc(c3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O

InChI Key InChIKey=JDLXXAQKDPZINZ-GVDBMIGSSA-N

Data  7 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50539851   

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi:  6.30nMAssay Description:Inhibition of human CA2 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi:  8.40nMAssay Description:Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi:  9.40nMAssay Description:Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 5B, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi:  48nMAssay Description:Inhibition of human CA5B pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi:  290nMAssay Description:Inhibition of human CA1 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 5A, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi:  3.24E+3nMAssay Description:Inhibition of human CA5A pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539851(CHEMBL4643353)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human CA9 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed