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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 = 'BDBM50041719'   
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))
BDBM50041719
PNG
(4-{1-[(E)-Methoxyimino]-heptyl}-thiophene-2-sulfon...)
Show SMILES CCCCCC\C(=N/OC)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N2O3S2/c1-3-4-5-6-7-11(14-17-2)10-8-12(18-9-10)19(13,15)16/h8-9H,3-7H2,1-2H3,(H2,13,15,16)/b14-11+
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 4.70n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair