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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 = 'BDBM50314538'   
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))
BDBM50314538
PNG
(CHEMBL1092715 | N-4-(Aminosulfonyl)phenethyl-S-(2,...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](SNCCc3ccc(cc3)S(N)(=O)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H46N2O19S2/c1-16(37)46-14-25-27(48-18(3)39)29(49-19(4)40)31(51-21(6)42)33(53-25)55-28-26(15-47-17(2)38)54-34(32(52-22(7)43)30(28)50-20(5)41)56-36-13-12-23-8-10-24(11-9-23)57(35,44)45/h8-11,25-34,36H,12-15H2,1-7H3,(H2,35,44,45)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
8.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair