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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 = 'BDBM50240189'   
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))
BDBM50240189
PNG
(CHEMBL4069119 | US9962398, Compound MST-140)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-9-5-6-10(12(16)11(9)15)19-13(20)18-7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

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Patents


Similars

US Patent
335n/an/an/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2Q242KS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240189
PNG
(CHEMBL4069119 | US9962398, Compound MST-140)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-9-5-6-10(12(16)11(9)15)19-13(20)18-7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
335n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair