BDBM50539863 CHEMBL4636750

SMILES CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N

InChI Key InChIKey=JHJCKCYGIJXIQG-UHFFFAOYSA-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 = 50539863   

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539863(CHEMBL4636750)
Affinity DataKi:  33nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 5B, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50539863(CHEMBL4636750)
Affinity DataKi:  53nMAssay 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
LigandPNGBDBM50539863(CHEMBL4636750)
Affinity DataKi:  65nMAssay 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
LigandPNGBDBM50539863(CHEMBL4636750)
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
LigandPNGBDBM50539863(CHEMBL4636750)
Affinity DataKi:  330nMAssay 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
LigandPNGBDBM50539863(CHEMBL4636750)
Affinity DataKi:  489nMAssay 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
LigandPNGBDBM50539863(CHEMBL4636750)
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