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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chitin synthase 1' and Ligand = 'BDBM50089541'   
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
Chitin synthase 1


(Saccharomyces cerevisiae)
BDBM50089541
PNG
((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1
Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Universidad Nacional de Rosario

Curated by ChEMBL


Assay Description
Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]-N-Acetylglucosamine after 90 mins


J Nat Prod 71: 1720-5 (2008)


Article DOI: 10.1021/np070660i
BindingDB Entry DOI: 10.7270/Q2513Z1P
More data for this
Ligand-Target Pair
Chitin synthase 1


(Saccharomyces cerevisiae)
BDBM50089541
PNG
((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1
Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Universidad Nacional de Rosario

Curated by ChEMBL


Assay Description
Inhibition of chitin synthase 1 in Saccharomyces cerevisiae after 90 mins in presence of trypsin


J Nat Prod 71: 1720-5 (2008)


Article DOI: 10.1021/np070660i
BindingDB Entry DOI: 10.7270/Q2513Z1P
More data for this
Ligand-Target Pair