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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50532423'   
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


(Homo sapiens (Human))
BDBM50532423
PNG
(CHEMBL4459118)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)15(19)17-23(13,20)21/h2-8H,1H3,(H,16,18)(H,17,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
790n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532423
PNG
(CHEMBL4459118)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)15(19)17-23(13,20)21/h2-8H,1H3,(H,16,18)(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
790n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair