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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50240180'   
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 12


(Homo sapiens (Human))
BDBM50240180
PNG
(CHEMBL4096209 | US9962398, Compound MST-139)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
8.5n/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 12


(Homo sapiens (Human))
BDBM50240180
PNG
(CHEMBL4096209 | US9962398, Compound MST-139)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.5n/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