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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 7' and Ligand = 'BDBM50341581'   
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 7


(Homo sapiens (Human))
BDBM50341581
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ylsu...)
Show SMILES COc1cc2CCN(Cc2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15)
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CHEMBL
MCE
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PC cid
PC sid
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Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 71: 105-11 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.071
BindingDB Entry DOI: 10.7270/Q2348PBQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341581
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ylsu...)
Show SMILES COc1cc2CCN(Cc2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CAH7


J Med Chem 54: 2522-6 (2011)


Article DOI: 10.1021/jm2000213
BindingDB Entry DOI: 10.7270/Q22F7NSJ
More data for this
Ligand-Target Pair