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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 = 'BDBM50037230'   
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))
BDBM50037230
PNG
(CHEMBL3356269)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O2S2/c1-11-2-4-12(5-3-11)17-13(9-19)10-23(22-17)18-21-15-7-6-14(27(20,24)25)8-16(15)26-18/h2-8,10H,1H3,(H2,20,24,25)
PDB
MMDB

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PC cid
PC sid
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Patents

Article
PubMed
186n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair