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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 = 'BDBM50038962'   
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))
BDBM50038962
PNG
(CHEMBL302105 | N-Adamantan-1-ylmethyl-4-sulfamoyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:22:16.15.21,21:20:23:16.15.17,21:16:23:20.22.19,THB:17:16:22:18.23.19,19:20:15:18.23.17,19:18:15:20.22.21|
Show InChI InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23)
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MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 2.10n/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