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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' AND taxid = 10116   
Target/Host
(Institution)
LigandTarget/Host
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 2/3/4/6


(Bos taurus-Bos taurus (Cattle)-Bos taurus (bovine))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 5


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Rattus norvegicus)
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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PC sid
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition concentration against carbonic anhydrase II in rat determined in esterase assay


J Med Chem 48: 1941-7 (2005)


Article DOI: 10.1021/jm040124c
BindingDB Entry DOI: 10.7270/Q2SQ9152
More data for this
Ligand-Target Pair