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PDB code 4WL4

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50366098
PNG
(CHEMBL1957177)
Show SMILES Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 6 hrs by stop-flow CO2 hydration assay


Bioorg Med Chem 20: 2266-73 (2012)


Article DOI: 10.1016/j.bmc.2012.02.014
BindingDB Entry DOI: 10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50366098
PNG
(CHEMBL1957177)
Show SMILES Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.85E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

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