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PDB code 3NI5

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (human))
BDBM50344554
PNG
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1
Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23)
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Article
PubMed
28n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output