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BDBM224001 N-[(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-yl]-1-{[(4-sulfamoylphenyl)methyl]carbamoyl}ethyl]-4,7,10,13,16-pentaoxanonadec-18-ynamide (8)

SMILES: NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)cc1

InChI Key: InChIKey=NXUPVBLQGTYEBE-XKKVKHEUNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 224001   
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))
BDBM224001
PNG
(N-[(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1/C39H46N6O10S/c1-2-17-51-19-21-53-23-25-55-26-24-54-22-20-52-18-16-37(46)42-36(39(48)41-28-30-8-14-35(15-9-30)56(40,49)50)27-33-29-45(44-43-33)34-12-10-32(11-13-34)38(47)31-6-4-3-5-7-31/h1,3-15,29,36H,16-28H2,(H,41,48)(H,42,46)(H2,40,49,50)/t36-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/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