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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 = 'BDBM50190244'   
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))
BDBM50190244
PNG
(2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(pheny...)
Show SMILES Cc1cc(c(SC(=NNS(=O)(=O)c2ccccc2)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7|
Show InChI InChI=1S/C20H18ClN3O4S3/c1-14-12-19(30(22,25)26)18(13-17(14)21)29-20(15-8-4-2-5-9-15)23-24-31(27,28)16-10-6-3-7-11-16/h2-13,24H,1H3,(H2,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.13E+5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair