BDBM50539862 CHEMBL4636412

SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CN(Cc3cn(nn3)[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O

InChI Key InChIKey=XKPQGMYSCDURHS-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50539862   

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
Affinity DataKi:  8.5nMAssay Description:Inhibition of human CA2 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
Affinity DataKi:  46nMAssay Description:Inhibition of human CA5B pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
Affinity DataKi:  57nMAssay Description:Inhibition of human CA5A pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
Affinity DataKi:  74nMAssay Description:Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
Affinity DataKi:  384nMAssay Description:Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
Affinity DataKi:  6.56E+3nMAssay Description:Inhibition of human CA9 pre-incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539862(CHEMBL4636412)
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
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed