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PDB code 3F7B

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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 4

  (266/266 = 100%)
(Homo sapiens (Human))
BDBM50317402
PNG
(5-(Aminosulfonyl)-N-(2-phenylethyl)-2-(phenylthio)...)
Show SMILES NS(=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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