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BDBM224004 N-{(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-yl]-1-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}-4,7,10,13,16-pentaoxanonadec-18-ynamide (11)

SMILES: NS(=O)(=O)c1nnc(NC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)s1

InChI Key: InChIKey=SDCXVVMDBIAMIM-KSTXGFNDNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 224004   
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))
BDBM224004
PNG
(N-{(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)s1 |r|
Show InChI InChI=1/C34H40N8O10S2/c1-2-13-48-15-17-50-19-21-52-22-20-51-18-16-49-14-12-30(43)36-29(32(45)37-33-39-40-34(53-33)54(35,46)47)23-27-24-42(41-38-27)28-10-8-26(9-11-28)31(44)25-6-4-3-5-7-25/h1,3-11,24,29H,12-23H2,(H,36,43)(H2,35,46,47)(H,37,39,45)/t29-/s2
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 139n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair