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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase III' and Ligand = 'BDBM248142'   
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 III


(Homo sapiens (Human))
BDBM248142
PNG
(Grayanotoxin III (GTX3))
Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1|
Show InChI InChI=1/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
760 -34.9n/an/an/an/an/a7.525



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 469-75 (2014)

More data for this
Ligand-Target Pair