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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50107363'   
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 2


(Homo sapiens (Human))
BDBM50107363
PNG
(CHEMBL3601393)
Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10|
Show InChI InChI=1/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37)
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PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair