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SMILES: COCCOCCN(CCOCCOC)Cc1cc2cc(sc2s1)S(N)(=O)=O

InChI Key: InChIKey=ARVGDAMBVNQSCH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012236   
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))		BDBM50012236
PNG
(5-({Bis-[2-(2-methoxy-ethoxy)-ethyl]-amino}-methyl...)
Show SMILES COCCOCCN(CCOCCOC)Cc1cc2cc(sc2s1)S(N)(=O)=O
Show InChI InChI=1S/C17H28N2O6S3/c1-22-7-9-24-5-3-19(4-6-25-10-8-23-2)13-15-11-14-12-16(28(18,20)21)27-17(14)26-15/h11-12H,3-10,13H2,1-2H3,(H2,18,20,21)
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Similars
PubMed
 2.77n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for 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