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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 = 'BDBM50171019'   
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))
BDBM50171019
PNG
(4-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)car...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N4O4S2/c17-26(23,24)14-7-1-11(2-8-14)9-10-18-16(25)20-19-13-5-3-12(4-6-13)15(21)22/h1-8,19H,9-10H2,(H,21,22)(H2,17,23,24)(H2,18,20,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
324n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair