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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50098562'   
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


(Methanosarcina thermophila)
BDBM50098562
PNG
(CHEBI:38906 | Sodium Cyanate)
Show SMILES [Na+].[O-]C#N
Show InChI InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stopped-flow/Co2 hydration assay


Bioorg Med Chem 23: 4405-9 (2015)


Article DOI: 10.1016/j.bmc.2015.06.021
BindingDB Entry DOI: 10.7270/Q2JD4ZJ0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanosarcina thermophila)
BDBM50098562
PNG
(CHEBI:38906 | Sodium Cyanate)
Show SMILES [Na+].[O-]C#N
Show InChI InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Methanosarcina thermophila recombinant carbonic anhydrase gamma assessed as inhibition of CO2 hydration preincubated for 15 mins by Lin...


Bioorg Med Chem 25: 575-580 (2017)


Article DOI: 10.1016/j.bmc.2016.11.021
BindingDB Entry DOI: 10.7270/Q2M047FF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50098562
PNG
(CHEBI:38906 | Sodium Cyanate)
Show SMILES [Na+].[O-]C#N
Show InChI InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
6.50E+5n/an/an/an/an/an/a8.3n/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow method


Bioorg Med Chem 23: 4831-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.029
BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair