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PDB code 3F7U

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))
BDBM50317400
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthi...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
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n/an/a 246n/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