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Compile Data Set for Download or QSAR

Found 56 hits of ki data for polymerid = 50003257,50006984   
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)
BDBM50579647
PNG
(CHEMBL5090920)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Cl)c6c7c(Cl)cc8c9c(cc(Oc%10ccc(OCc%11cn(CCCN%12C[C@H](O)[C@@H](O)[C@H](O)[C@H]%12CO)nn%11)cc%10)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Jack bean alpha-mannosidase by Lineweaver-Burk plot


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00036
BindingDB Entry DOI: 10.7270/Q28G8QK8
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168997
PNG
(4-Fluoro-benzoic acid 2-[((2R,3R,4S)-3,4-dihydroxy...)
Show SMILES O[C@H]1CN[C@H](CNC(COC(=O)c2ccc(F)cc2)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H23FN2O4/c21-15-8-6-14(7-9-15)20(26)27-12-17(13-4-2-1-3-5-13)22-10-16-19(25)18(24)11-23-16/h1-9,16-19,22-25H,10-12H2/t16-,17?,18+,19-/m1/s1
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19n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity against alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124579
PNG
(CHEMBL3621532)
Show SMILES OC[C@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
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


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 |r|
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)
BDBM50590565
PNG
(CHEMBL5199547)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Oc6ccc(OCc7cn(CCCN8C[C@H](O)[C@@H](O)[C@H](O)[C@H]8CO)nn7)cc6)c6c7c(Oc8ccc(OCc9cn(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)nn9)cc8)cc8c9c(cc(Oc%10ccc(OCc%11cn(CCCN%12C[C@H](O)[C@@H](O)[C@H](O)[C@H]%12CO)nn%11)cc%10)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
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80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114621
BindingDB Entry DOI: 10.7270/Q2QN6BSD
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50590564
PNG
(CHEMBL5179216)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Oc6ccc(OCc7cn(CCCN8C[C@H](O)[C@@H](O)[C@H](O)[C@H]8CO)nn7)cc6)c6c7c(Oc8ccc(OCc9cn(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)nn9)cc8)cc8c9c(cc(Cl)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
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120n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114621
BindingDB Entry DOI: 10.7270/Q2QN6BSD
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50579646
PNG
(CHEMBL5078012)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Oc6ccc(OCc7cn(CCCN8C[C@H](O)[C@@H](O)[C@H](O)[C@H]8CO)nn7)cc6)c6c7c(Cl)cc8c9c(cc(Cl)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Jack bean alpha-mannosidase by Lineweaver-Burk plot


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00036
BindingDB Entry DOI: 10.7270/Q28G8QK8
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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135n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525018
PNG
(CHEMBL4465842)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COCc6cn(CCCCCCN[C@@H]7[C@@H](O)[C@@H](O)[C@H](O)[C@@]8([H])COC(=O)N78)nn6)O[C@H](O[C@]6([H])[C@@H](COCc7cn(CCCCCCN[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@]9([H])COC(=O)N89)nn7)O[C@H](O[C@]7([H])[C@@H](COCc8cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@@]%10([H])COC(=O)N9%10)nn8)O[C@H](O[C@]8([H])[C@@H](COCc9cn(CCCCCCN[C@@H]%10[C@@H](O)[C@@H](O)[C@H](O)[C@@]%11([H])COC(=O)N%10%11)nn9)O[C@]([H])(O[C@@H]9[C@@H](COCc%10cn(CCCCCCN[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O)[C@@]%12([H])COC(=O)N%11%12)nn%10)O[C@H](O[C@]%10([H])[C@@H](COCc%11cn(CCCCCCN[C@@H]%12[C@@H](O)[C@@H](O)[C@H](O)[C@@]%13([H])COC(=O)N%12%13)nn%11)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6,54,89,124,159,194,229|
Show InChI InChI=1S/C168H273N35O70/c1-232-134-127-99(78-246-64-85-57-190(183-176-85)50-36-22-15-29-43-169-148-120(218)113(211)106(204)92-71-253-162(225)197(92)148)260-155(141(134)239-8)268-128-100(79-247-65-86-58-191(184-177-86)51-37-23-16-30-44-170-149-121(219)114(212)107(205)93-72-254-163(226)198(93)149)262-157(143(241-10)135(128)233-2)270-130-102(81-249-67-88-60-193(186-179-88)53-39-25-18-32-46-172-151-123(221)116(214)109(207)95-74-256-165(228)200(95)151)264-159(145(243-12)137(130)235-4)272-132-104(83-251-69-90-62-195(188-181-90)55-41-27-20-34-48-174-153-125(223)118(216)111(209)97-76-258-167(230)202(97)153)266-161(147(245-14)139(132)237-6)273-133-105(84-252-70-91-63-196(189-182-91)56-42-28-21-35-49-175-154-126(224)119(217)112(210)98-77-259-168(231)203(98)154)265-160(146(244-13)140(133)238-7)271-131-103(82-250-68-89-61-194(187-180-89)54-40-26-19-33-47-173-152-124(222)117(215)110(208)96-75-257-166(229)201(96)152)263-158(144(242-11)138(131)236-5)269-129-101(261-156(267-127)142(240-9)136(129)234-3)80-248-66-87-59-192(185-178-87)52-38-24-17-31-45-171-150-122(220)115(213)108(206)94-73-255-164(227)199(94)150/h57-63,92-161,169-175,204-224H,15-56,64-84H2,1-14H3/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127-,128-,129-,130-,131-,132-,133-,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144-,145-,146-,147-,148+,149+,150+,151+,152+,153+,154+,155-,156-,157-,158-,159-,160-,161-/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525015
PNG
(CHEMBL4435118)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|
Show InChI InChI=1S/C13H23N5O5/c14-17-16-6-4-2-1-3-5-15-12-11(21)10(20)9(19)8-7-23-13(22)18(8)12/h8-12,15,19-21H,1-7H2/t8-,9-,10+,11+,12+/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525016
PNG
(CHEMBL4457217)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|
Show InChI InChI=1S/C16H29N5O5/c17-20-19-9-7-5-3-1-2-4-6-8-18-15-14(24)13(23)12(22)11-10-26-16(25)21(11)15/h11-15,18,22-24H,1-10H2/t11-,12-,13+,14+,15+/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525014
PNG
(CHEMBL4475419)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(CCC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|
Show InChI InChI=1S/C18H31N5O5/c1-2-7-12-10-22(21-20-12)9-6-4-3-5-8-19-17-16(26)15(25)14(24)13-11-28-18(27)23(13)17/h10,13-17,19,24-26H,2-9,11H2,1H3/t13-,14-,15+,16+,17+/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525017
PNG
(CHEMBL4462117)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|
Show InChI InChI=1S/C78H135N5O40/c1-88-30-39-49-56(94-7)64(102-15)72(111-39)119-51-41(32-90-3)113-74(66(104-17)58(51)96-9)121-53-43(34-92-5)115-76(68(106-19)60(53)98-11)123-55-45(36-108-28-37-27-82(81-80-37)26-24-22-21-23-25-79-70-48(86)47(85)46(84)38-29-109-78(87)83(38)70)116-77(69(107-20)62(55)100-13)122-54-44(35-93-6)114-75(67(105-18)61(54)99-12)120-52-42(33-91-4)112-73(65(103-16)59(52)97-10)118-50-40(31-89-2)110-71(117-49)63(101-14)57(50)95-8/h27,38-77,79,84-86H,21-26,28-36H2,1-20H3/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525020
PNG
(CHEMBL4518572)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|
Show InChI InChI=1S/C21H39N3O7/c1-21(2,3)31-19(28)23-12-10-8-6-4-5-7-9-11-22-18-17(27)16(26)15(25)14-13-30-20(29)24(14)18/h14-18,22,25-27H,4-13H2,1-3H3,(H,23,28)/t14-,15-,16+,17+,18+/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
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 |r|
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


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-1,2-Mannosidase


(Glycine max)
BDBM50168999
PNG
((2R,3R,4R,5R)-5-(Benzylamino-methyl)-pyrrolidine-2...)
Show SMILES O[C@H]1N[C@H](CNCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H18N2O3/c15-10-9(14-12(17)11(10)16)7-13-6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11-,12-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168991
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[((R)-2-hydroxy-1-...)
Show SMILES OCC(NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C14H22N2O4/c17-7-11(9-4-2-1-3-5-9)15-6-10-13(19)14(20)12(8-18)16-10/h1-5,10-20H,6-8H2/t10-,11?,12-,13-,14+/m1/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168998
PNG
((2R,3R,4S)-2-((R)-Indan-1-ylaminomethyl)-pyrrolidi...)
Show SMILES O[C@H]1CN[C@H](CNC2CCc3ccccc23)[C@H]1O
Show InChI InChI=1S/C14H20N2O2/c17-13-8-16-12(14(13)18)7-15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11-18H,5-8H2/t11?,12-,13+,14-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525019
PNG
(CHEMBL4471561)
Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|
Show InChI InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-14-13(20)12(19)11(18)10-9-22-15(21)17(10)14/h10-14,16,18-20H,2-9H2,1H3/t10-,11-,12+,13+,14+/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50525021
PNG
(CHEMBL4483772)
Show SMILES [H][C@]12COC(=O)N1[C@H](N)[C@@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C7H12N2O5/c8-6-5(12)4(11)3(10)2-1-14-7(13)9(2)6/h2-6,10-12H,1,8H2/t2-,3-,4+,5+,6+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Sevilla

Curated by ChEMBL


Assay Description
Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis


J Med Chem 62: 5832-5843 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00153
BindingDB Entry DOI: 10.7270/Q22R3W4H
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104307
PNG
(2-(Benzylamino-methyl)-pyrrolidine-3,4-diol | CHEM...)
Show SMILES OC1CNC(CNCc2ccccc2)C1O
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2
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7.40E+3n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168993
PNG
((2R,3R,4S)-2-(Benzylamino-methyl)-pyrrolidine-3,4-...)
Show SMILES O[C@H]1CN[C@H](CNCc2ccccc2)[C@H]1O
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-/m1/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Almond


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50169000
PNG
((2R,3R,4S)-2-[((R)-2-Benzyloxy-1-phenyl-ethylamino...)
Show SMILES O[C@H]1CN[C@H](CNC(COCc2ccccc2)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H26N2O3/c23-19-12-22-17(20(19)24)11-21-18(16-9-5-2-6-10-16)14-25-13-15-7-3-1-4-8-15/h1-10,17-24H,11-14H2/t17-,18?,19+,20-/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Almond


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50065259
PNG
((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r|
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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1.80E+4n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of jack beans alpha-mannosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.095
BindingDB Entry DOI: 10.7270/Q26Q1WV2
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168994
PNG
(2-Fluoro-benzoic acid 2-[((2R,3R,4S)-3,4-dihydroxy...)
Show SMILES O[C@H]1CN[C@H](CNC(COC(=O)c2ccccc2F)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H23FN2O4/c21-15-9-5-4-8-14(15)20(26)27-12-17(13-6-2-1-3-7-13)22-10-16-19(25)18(24)11-23-16/h1-9,16-19,22-25H,10-12H2/t16-,17?,18+,19-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity against alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104298
PNG
(2-{[(Thiophen-2-ylmethyl)-amino]-methyl}-pyrrolidi...)
Show SMILES OC1CNC(CNCc2cccs2)C1O
Show InChI InChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2
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2.60E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50402978
PNG
(CHEMBL2207396)
Show SMILES O[C@H]1CNC[C@H]1O |r|
Show InChI InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+
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4.00E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Almond


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104306
PNG
(2-Aminomethyl-pyrrolidine-3,4-diol | CHEMBL79727)
Show SMILES NCC1NCC(O)C1O
Show InChI InChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2
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5.30E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104304
PNG
(2-[((S)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m0/s1
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5.90E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50182794
PNG
(4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)-N-(6-((...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1ccc(cc1)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C29H40N4O7S/c1-32(2)22-11-7-20(8-12-22)26-17-30-29(40-26)21-9-13-23(14-10-21)41(38,39)31-15-5-3-4-6-16-33-18-25(35)28(37)27(36)24(33)19-34/h7-14,17,24-25,27-28,31,34-37H,3-6,15-16,18-19H2,1-2H3/t24-,25+,27-,28-/m1/s1
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6.50E+4n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of jack beans alpha-mannosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.095
BindingDB Entry DOI: 10.7270/Q26Q1WV2
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104307
PNG
(2-(Benzylamino-methyl)-pyrrolidine-3,4-diol | CHEM...)
Show SMILES OC1CNC(CNCc2ccccc2)C1O
Show InChI InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2
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7.10E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-galactosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50182800
PNG
(5-(dimethylamino)-N-(6-((2R,3R,4R,5R)-3,4,5-trihyd...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21-,23-,24-/m1/s1
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7.80E+4n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of jack beans alpha-mannosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.095
BindingDB Entry DOI: 10.7270/Q26Q1WV2
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
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8.00E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104298
PNG
(2-{[(Thiophen-2-ylmethyl)-amino]-methyl}-pyrrolidi...)
Show SMILES OC1CNC(CNCc2cccs2)C1O
Show InChI InChI=1S/C10H16N2O2S/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2
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9.80E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Almond


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50236278
PNG
(CHEMBL4077472)
Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
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 [H][C@@]12CO[C@@]([H])([C@H](O)[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 |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
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)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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1.05E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114621
BindingDB Entry DOI: 10.7270/Q2QN6BSD
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104301
PNG
(2-[((R)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-...)
Show SMILES C[C@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m1/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104309
PNG
(2-[((R)-1-Phenyl-ethylamino)-methyl]-pyrrolidine-3...)
Show SMILES C[C@@H](NCC1NCC(O)C1O)c1ccccc1
Show InChI InChI=1S/C13H20N2O2/c1-9(10-5-3-2-4-6-10)14-7-11-13(17)12(16)8-15-11/h2-6,9,11-17H,7-8H2,1H3/t9-,11?,12?,13?/m1/s1
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1.70E+5n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50104295
PNG
(2-[(2-Hydroxy-1-methyl-2,2-diphenyl-ethylamino)-me...)
Show SMILES CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3
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1.70E+5n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-mannosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
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


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 |r|
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...


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 |r|
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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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 |r|
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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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
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168991
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[((R)-2-hydroxy-1-...)
Show SMILES OCC(NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C14H22N2O4/c17-7-11(9-4-2-1-3-5-9)15-6-10-13(19)14(20)12(8-18)16-10/h1-5,10-20H,6-8H2/t10-,11?,12-,13-,14+/m1/s1
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6.00E+5n/an/an/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-Mannosidase isolated from Almond


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha mannosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
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