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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50314531'   
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


(Homo sapiens (Human))
BDBM50314531
PNG
(CHEMBL1092028 | N-4-(Aminosulfonyl)benzyl-S-(2,2',...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H44N2O21S2/c1-15(36)47-13-24-26(49-17(3)38)28(50-18(4)39)30(52-20(6)41)32(54-24)56-27-25(14-48-16(2)37)55-33(31(53-21(7)42)29(27)51-19(5)40)58(45,46)35-12-22-8-10-23(11-9-22)57(34,43)44/h8-11,24-33,35H,12-14H2,1-7H3,(H2,34,43,44)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+/m1/s1
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MMDB

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PC cid
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Article
PubMed
62.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair