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SMILES: COCCOCCNC(C)c1cc2cc(sc2s1)S(N)(=O)=O

InChI Key: InChIKey=IRXHTBCIMPXLHG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012221   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50012221
PNG
(5-{1-[2-(2-Methoxy-ethoxy)-ethylamino]-ethyl}-thie...)
Show SMILES COCCOCCNC(C)c1cc2cc(sc2s1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O4S3/c1-9(15-3-4-19-6-5-18-2)11-7-10-8-12(22(14,16)17)21-13(10)20-11/h7-9,15H,3-6H2,1-2H3,(H2,14,16,17)
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PubMed
 3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human carbonic anhydrase II

J Med Chem 34: 1805-18 (1991)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25D8SFP
More data for this
Ligand-Target Pair