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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 = 'BDBM50133805'   
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))
BDBM50133805
PNG
(CHEMBL3633781)
Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21)
PDB
MMDB

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PubMed
44n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 5636-41 (2015)


BindingDB Entry DOI: 10.7270/Q251412B
More data for this
Ligand-Target Pair