BDBM50539860 CHEMBL4644555

SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCOc3ccc4ccc(=O)oc4c3)nn2)c(=O)[nH]c1=O

InChI Key InChIKey=JDECMPHXKKFPMS-CEWLAPEOSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50539860   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi:  0.600nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi:  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 sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi:  43nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi:  302nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi:  2.95E+3nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi: >1.00E+4nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50539860(CHEMBL4644555)
Affinity DataKi: >1.00E+4nMAssay 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 sid
In DepthDetails ArticlePubMed