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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50171009'   
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))
BDBM50171009
PNG
((3R)-3-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amin...)
Show SMILES NC(CC(N)=O)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H19N5O4S2/c14-10(7-11(15)19)12(20)18-13(23)17-6-5-8-1-3-9(4-2-8)24(16,21)22/h1-4,10H,5-7,14H2,(H2,15,19)(H2,16,21,22)(H2,17,18,20,23)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair