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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 = 'BDBM50415867'   
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))
BDBM50415867
PNG
(CHEMBL205467)
Show SMILES NCCCC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H15N3O3S/c11-6-2-5-10(14)13-8-3-1-4-9(7-8)17(12,15)16/h1,3-4,7H,2,5-6,11H2,(H,13,14)(H2,12,15,16)
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PC cid
PC sid
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Similars

Article
PubMed
0.00500n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415867
PNG
(CHEMBL205467)
Show SMILES NCCCC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H15N3O3S/c11-6-2-5-10(14)13-8-3-1-4-9(7-8)17(12,15)16/h1,3-4,7H,2,5-6,11H2,(H,13,14)(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.49E+6n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair