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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase, alpha family' AND taxid = 317025   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Thiomicrospira crunogena XCL-2 alpha-carbonic anhydrase expressed in Escherichia coli BL21 (DE3) cells by [18O]-exchange mass spectrosc...


Bioorg Med Chem Lett 25: 4937-40 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM26981
PNG
(CHEMBL1644695 | CHEMBL185537 | I- | IODIDE | POTAS...)
Show InChI InChI=1S/HI/h1H/p-1
PDB

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
PubMed
5.30E+7n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Thiomicrospira crunogena XCL-2 alpha-carbonic anhydrase expressed in Escherichia coli BL21 (DE3) cells by [18O]-exchange mass spectrosc...


Bioorg Med Chem Lett 25: 4937-40 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM26980
PNG
(BROMIDE | Br- | CHEMBL11685 | CHEMBL1644030 | CHEM...)
Show InChI InChI=1S/BrH/h1H/p-1
PDB

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PubMed
2.42E+8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Thiomicrospira crunogena XCL-2 alpha-carbonic anhydrase expressed in Escherichia coli BL21 (DE3) cells by [18O]-exchange mass spectrosc...


Bioorg Med Chem Lett 25: 4937-40 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM26979
PNG
(CHEMBL19429 | CHEMBL69710 | CHLORIDE | Cl- | POTAS...)
Show InChI InChI=1S/ClH/h1H/p-1
PDB

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PubMed
3.61E+8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Thiomicrospira crunogena XCL-2 alpha-carbonic anhydrase expressed in Escherichia coli BL21 (DE3) cells by [18O]-exchange mass spectrosc...


Bioorg Med Chem Lett 25: 4937-40 (2015)

More data for this
Ligand-Target Pair