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PDB code 3QYK

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))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
PDB
MMDB

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PC cid
PC sid
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Similars

AffyNet 
Article
PubMed
49n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair

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