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Compile Data Set for Download or QSAR

Found 7 hits of ki data for polymerid = 50006984   
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
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124579
PNG
(CHEMBL3621532)
Show SMILES OC[C@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7+,8-,9-/m0/s1
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35n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate


Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124578
PNG
(CHEMBL3621533)
Show SMILES OC[C@@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7+,8-,9+/m0/s1
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43n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate


Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124580
PNG
(CHEMBL3621530)
Show SMILES OC[C@@]12CCC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7-,8+,9-/m1/s1
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900n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate


Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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2.70E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using p-nitrophenyl-mannopyranoside as substrate measured every 2 mins


Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50204663
PNG
(CHEMBL3894489)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1
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2.90E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-substrate-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substr...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50204663
PNG
(CHEMBL3894489)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1
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PubMed
3.90E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substrate by Lin...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50204661
PNG
(CHEMBL3892394)
Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1
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PubMed
5.10E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using o-orp-nitrophenyl-glycopyranoside as substrate by Lineweaver-Burk plot method


Citation and Details
More data for this
Ligand-Target Pair