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PDB code 4E3D

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))
BDBM50335808
PNG
(2,5-Dihydroxybenzoate, VI | 2,5-dihydroxybenzoic a...)
Show SMILES OC(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
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MCE
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Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50335808
PNG
(2,5-Dihydroxybenzoate, VI | 2,5-dihydroxybenzoic a...)
Show SMILES OC(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase isozyme 2 pre-incubated for 10 mins before 4-nitrophenylacetate substrate addition


J Med Chem 60: 128-145 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00725
BindingDB Entry DOI: 10.7270/Q2RX9F10
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