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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 = 'BDBM50038953'   
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))
BDBM50038953
PNG
(CHEMBL67475 | N-Pyridin-4-ylmethyl-4-sulfamoyl-ben...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.40n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)

More data for this
Ligand-Target Pair