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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'gavale' and Initial = 'ks'   
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
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260444
PNG
(CHEMBL4073111)
Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1
UniProtKB/SwissProt

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PubMed
8n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260443
PNG
(CHEMBL4096086)
Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1
UniProtKB/SwissProt

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62n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260445
PNG
(CHEMBL4064761)
Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1
UniProtKB/SwissProt

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Article
PubMed
3.64E+5n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260444
PNG
(CHEMBL4073111)
Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260443
PNG
(CHEMBL4096086)
Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260445
PNG
(CHEMBL4064761)
Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.92E+5n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair