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SMILES: COCCN(CCOC)Cc1cc2sc(cc2s1)S(N)(=O)=O

InChI Key: InChIKey=RJFXUQXMNNOMJH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012211   
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))		BDBM50012211
PNG
(5-{[Bis-(2-methoxy-ethyl)-amino]-methyl}-thieno[3,...)
Show SMILES COCCN(CCOC)Cc1cc2sc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C13H20N2O4S3/c1-18-5-3-15(4-6-19-2)9-10-7-11-12(20-10)8-13(21-11)22(14,16)17/h7-8H,3-6,9H2,1-2H3,(H2,14,16,17)
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PubMed
 0.950n/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