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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase' AND taxid = 74562   
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
Beta-glucosidase


(Agrobacterium sp. ATCC 21400)
BDBM50371431
PNG
(CHEMBL402127)
Show SMILES COC(=O)CCCCCNC(=O)CCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C31H48N4O8S/c1-34(2)24-14-10-13-23-22(24)12-11-15-27(23)44(41,42)33-20-25-30(39)31(40)26(21-36)35(25)19-9-5-6-16-28(37)32-18-8-4-7-17-29(38)43-3/h10-15,25-26,30-31,33,36,39-40H,4-9,16-21H2,1-3H3,(H,32,37)/t25-,26-,30-,31-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
900n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium sp. ATCC 21400)
BDBM50371433
PNG
(CHEMBL402128)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29+,30+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.20E+3n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Citation and Details
More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium sp. ATCC 21400)
BDBM50371432
PNG
(CHEMBL271053)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26+,29+,30+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Citation and Details
More data for this
Ligand-Target Pair