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BDBM50031452 (R)-3-Amino-4-hydroxy-2-oxo-1-(2-{2-[2-(4-sulfamoyl-benzoylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-butyl-ammonium

SMILES: NC(CO)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=SKTRJOBDRFQQMU-YSSOQSIOSA-O

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031452   
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))
BDBM50031452
PNG
((R)-3-Amino-4-hydroxy-2-oxo-1-(2-{2-[2-(4-sulfamoy...)
Show SMILES NC(CO)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H29N5O8S/c19-14(11-24)16(25)15(20)18(27)23-6-8-31-10-9-30-7-5-22-17(26)12-1-3-13(4-2-12)32(21,28)29/h1-4,14-15,24H,5-11,19-20H2,(H,22,26)(H,23,27)(H2,21,28,29)/p+1/t14?,15-/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 41n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)


Article DOI: 10.1021/jm00013a004
BindingDB Entry DOI: 10.7270/Q2125T9G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)