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SMILES: CC(C)(C)C(=O)Nc1c(OC(=O)C(C)(C)C)ccc2nc(sc12)S(N)(=O)=O

InChI Key: InChIKey=NBSJXXKTURQJRX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50405860   
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))		BDBM50405860
PNG
(CHEMBL79472)
Show SMILES CC(C)(C)C(=O)Nc1c(OC(=O)C(C)(C)C)ccc2nc(sc12)S(N)(=O)=O
Show InChI InChI=1S/C17H23N3O5S2/c1-16(2,3)13(21)20-11-10(25-14(22)17(4,5)6)8-7-9-12(11)26-15(19-9)27(18,23)24/h7-8H,1-6H3,(H,20,21)(H2,18,23,24)
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MMDB

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n/an/a 32n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibition of human Carbonic Anhydrase II

J Med Chem 32: 2486-92 (1989)


BindingDB Entry DOI: 10.7270/Q27P90KQ
More data for this
Ligand-Target Pair