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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 = 'BDBM50354342'   
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))		BDBM50354342
PNG
(CHEMBL1836628)
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)Cc2cn(nn2)-c2ccc(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/C35H44N4O21S2/c1-16(40)51-13-26-28(53-18(3)42)30(54-19(4)43)32(56-21(6)45)34(58-26)60-29-27(14-52-17(2)41)59-35(33(57-22(7)46)31(29)55-20(5)44)61(47,48)15-23-12-39(38-37-23)24-8-10-25(11-9-24)62(36,49)50/h8-12,26-35H,13-15H2,1-7H3,(H2,36,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1
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Similars
Article
PubMed
 44.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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

J Med Chem 54: 6905-18 (2011)


Article DOI: 10.1021/jm200892s
BindingDB Entry DOI: 10.7270/Q2BG2PDZ
More data for this
Ligand-Target Pair