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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50167341'   
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 9


(Homo sapiens (Human))
BDBM50167341
PNG
(4-[2-(4,6-Dihydrazino-[1,3,5]triazin-2-ylamino)-et...)
Show SMILES NNc1nc(NN)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C11H17N9O2S/c12-19-10-16-9(17-11(18-10)20-13)15-6-5-7-1-3-8(4-2-7)23(14,21)22/h1-4H,5-6,12-13H2,(H2,14,21,22)(H3,15,16,17,18,19,20)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair