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Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 50006984   
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-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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Article
PubMed
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


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
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


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
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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PubMed
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


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50236278
PNG
(CHEMBL4077472)
Show SMILES O[C@@H]1[C@H]2CO[C@@H]([C@H](O)[C@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


J Med Chem 60: 1829-1842 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01550
BindingDB Entry DOI: 10.7270/Q2K939S5
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50236280
PNG
(CHEMBL4100971)
Show SMILES O[C@@H]1[C@H]2CO[C@@H]([C@H](O)[C@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry


J Med Chem 60: 1829-1842 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01550
BindingDB Entry DOI: 10.7270/Q2K939S5
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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CHEBI
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Article
PubMed
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


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
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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Article
PubMed
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...


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
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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Article
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...


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
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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Article
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


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair