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SMILES: COCCOCCN(CCOC)C(Cc1ccc(F)cc1)c1cc2cc(sc2s1)S(N)(=O)=O

InChI Key: InChIKey=GVVWJYWBLCXJJI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012223   
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))		BDBM50012223
PNG
(5-{2-(4-Fluoro-phenyl)-1-[[2-(2-methoxy-ethoxy)-et...)
Show SMILES COCCOCCN(CCOC)C(Cc1ccc(F)cc1)c1cc2cc(sc2s1)S(N)(=O)=O
Show InChI InChI=1S/C22H29FN2O5S3/c1-28-9-7-25(8-10-30-12-11-29-2)19(13-16-3-5-18(23)6-4-16)20-14-17-15-21(33(24,26)27)32-22(17)31-20/h3-6,14-15,19H,7-13H2,1-2H3,(H2,24,26,27)
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Similars
PubMed
 7n/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