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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 = 'BDBM50253217'   
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))
BDBM50253217
PNG
(CHEMBL4067394)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H17N3O5SSe/c18-26(22,23)13-4-1-11(2-5-13)7-8-19-17(27)20-16(21)12-3-6-14-15(9-12)25-10-24-14/h1-6,9H,7-8,10H2,(H2,18,22,23)(H2,19,20,21,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
524n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...


Bioorg Med Chem 25: 3567-3573 (2017)


Article DOI: 10.1016/j.bmc.2017.05.014
BindingDB Entry DOI: 10.7270/Q27H1N1N
More data for this
Ligand-Target Pair