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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 3 (CA III)' and Ligand = 'BDBM239162'   
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 3 (CA III)


(Bos taurus (Cattle))
BDBM239162
PNG
(α-CA inhibitor, 10)
Show SMILES CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)C3C[C@H](O[C@@H]4OC[C@@H](O)C(O)[C@@H]4O)C4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)C(O)[C@@H]1O)C4(C)C |r|
Show InChI InChI=1/C40H66O13/c1-34(2)24(52-33-29(47)27(45)21(43)17-50-33)9-11-40-18-39(40)13-12-36(5)30(38(7)10-8-25(53-38)35(3,4)48)19(41)15-37(36,6)23(39)14-22(31(34)40)51-32-28(46)26(44)20(42)16-49-32/h19-33,41-48H,8-18H2,1-7H3/t19-,20+,21+,22-,23?,24-,25-,26?,27?,28-,29-,30-,31?,32-,33-,36+,37-,38+,39-,40+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.49E+3n/an/an/an/an/an/a7.4n/a



Ege University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 28: 412-7 (2013)


Article DOI: 10.3109/14756366.2011.651464
More data for this
Ligand-Target Pair