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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50349856'   
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 1


(Homo sapiens (Human))
BDBM50349856
PNG
(CHEMBL1813218)
Show SMILES CC(Nc1nc(NCCc2ccc(cc2)S(N)(=O)=O)nc(NC(C)C(O)=O)n1)C(O)=O
Show InChI InChI=1S/C17H23N7O6S/c1-9(13(25)26)20-16-22-15(23-17(24-16)21-10(2)14(27)28)19-8-7-11-3-5-12(6-4-11)31(18,29)30/h3-6,9-10H,7-8H2,1-2H3,(H,25,26)(H,27,28)(H2,18,29,30)(H3,19,20,21,22,23,24)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair