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SMILES: COCCN(CCOC)CCC1CNc2cc(sc2S1(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=SANCXLDERSCSBH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50043900   
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))		BDBM50043900
PNG
(3-{2-[Bis-(2-methoxy-ethyl)-amino]-ethyl}-4,4-diox...)
Show SMILES COCCN(CCOC)CCC1CNc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H25N3O6S3/c1-22-7-5-17(6-8-23-2)4-3-11-10-16-12-9-13(26(15,20)21)24-14(12)25(11,18)19/h9,11,16H,3-8,10H2,1-2H3,(H2,15,20,21)
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PubMed
 0.970n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)

J Med Chem 37: 240-7 (1994)


BindingDB Entry DOI: 10.7270/Q2N29XKD
More data for this
Ligand-Target Pair