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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50066119'   
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 1


(Homo sapiens (Human))
BDBM50066119
PNG
(CHEMBL3402974)
Show SMILES NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-1 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair