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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chitin synthase (CS)'   
Target
(Institution)
LigandTarget
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 (CS)


(Saccharomyces cerevisiae (Yeast))
BDBM152550
PNG
(5'-(N-succinyl)-5'-amino-5'-deoxyuridi...)
Show SMILES COC(=O)CCC(=O)NC[C@H]1O[C@H]([C@@H](O)C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C14H19N3O8/c1-24-10(20)3-2-8(18)15-6-7-11(21)12(22)13(25-7)17-5-4-9(19)16-14(17)23/h4-5,7,11-13,21-22H,2-3,6H2,1H3,(H,15,18)(H,16,19,23)/t7-,11?,12+,13-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8.00E+5n/an/an/an/an/an/a



Silesian University of Technology



Assay Description
Assays were performed in 96-wells microtiter plate with flat bottom. To each well of the plate, 100 L of WGA solution was added at 50 g/mL. After i...


Citation and Details
More data for this
Ligand-Target Pair
Chitin synthase (CS)


(Saccharomyces cerevisiae (Yeast))
BDBM152551
PNG
(Dimer 15 (15))
Show SMILES OC1[C@@H](CNC(=O)CNC(=O)CCC(=O)NCC(=O)NC[C@H]2O[C@H]([C@@H](O)C2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C26H34N8O14/c35-13(29-9-17(39)27-7-11-19(41)21(43)23(47-11)33-5-3-15(37)31-25(33)45)1-2-14(36)30-10-18(40)28-8-12-20(42)22(44)24(48-12)34-6-4-16(38)32-26(34)46/h3-6,11-12,19-24,41-44H,1-2,7-10H2,(H,27,39)(H,28,40)(H,29,35)(H,30,36)(H,31,37,45)(H,32,38,46)/t11-,12-,19?,20?,21+,22+,23-,24-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.00E+6n/an/an/an/an/an/a



Silesian University of Technology



Assay Description
Assays were performed in 96-wells microtiter plate with flat bottom. To each well of the plate, 100 L of WGA solution was added at 50 g/mL. After i...


Citation and Details
More data for this
Ligand-Target Pair