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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase I'   
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 I


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB

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PC cid
PC sid
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)

More data for this
Ligand-Target Pair
Carbonic anhydrase I


(Homo sapiens (human))
BDBM50044315
PNG
(CHEMBL69291 | Ethanesulfonic acid amide)
Show SMILES CCS(N)(=O)=O
Show InChI InChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)

More data for this
Ligand-Target Pair
Carbonic anhydrase I


(Homo sapiens (human))
BDBM50044318
PNG
(CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...)
Show SMILES CS(N)(=O)=O
Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)

More data for this
Ligand-Target Pair