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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P30572   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chitin synthase 1/2/3


(Candida albicans)
BDBM50089537
PNG
(5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...)
Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Candida albicans chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase 2


(Candida albicans)
BDBM50559070
PNG
(CHEMBL1182094)
Show SMILES COc1ccc2c(Cc3ccc(cc3)C(C)(C)C)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Chitin synthase 2 in Candida albicans (chs3del::hisG/chs3del::hisG) microsomes using UDP-[U14C]-GlcNac as substrate


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00748
BindingDB Entry DOI: 10.7270/Q2348Q30
More data for this
Ligand-Target Pair