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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 11579   
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
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

3.10E+3n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
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
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

3.40E+3n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583381
PNG
(CHEMBL5029066 | US20230339856, Compound (IIb1))
Show SMILES CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
6.40E+3n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628473
PNG
(US20230339856, Compound (IIc))
Show SMILES OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
7.60E+3n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583383
PNG
(CHEMBL5028005 | US20230339856, Compound (IIb3))
Show SMILES CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
1.08E+4n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583379
PNG
(CHEMBL5028138 | US20230339856, Compound (IIb))
Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.30E+4n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628488
PNG
(US20230339856, Compound (IIc1))
Show SMILES OC[C@@]1(CCCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.30E+4n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628474
PNG
(US20230339856, Compound (IId))
Show SMILES OCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.89E+4n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628489
PNG
(US20230339856, Compound (IIr))
Show SMILES OC[C@@]1(CCC23CC4CC(CC(C4)C2)C3)NC[C@H](O)[C@@H](O)[C@@H]1O |r,TLB:12:11:14:8.7.6,12:7:14:11.13.10,THB:13:11:8:14.5.6,13:5:8:11.12.10,4:5:8:11.12.10|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
2.00E+4n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628474
PNG
(US20230339856, Compound (IId))
Show SMILES OCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 150n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628473
PNG
(US20230339856, Compound (IIc))
Show SMILES OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 220n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583379
PNG
(CHEMBL5028138 | US20230339856, Compound (IIb))
Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 390n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
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
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 410n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583378
PNG
(CHEMBL5028084 | US20230339856, Compound (IIa))
Show SMILES CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 420n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50124581
PNG
(CHEMBL3621529 | US20230339856, Compound (IIg))
Show SMILES OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 460n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628475
PNG
(US20230339856, Compound (IIf))
Show SMILES OC[C@@]12CCCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 870n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628478
PNG
(US20230339856, Compound (IIh))
Show SMILES OC[C@@]12CCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.70E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628480
PNG
(US20230339856, Compound (IIk))
Show SMILES OC[C@H]1N2C[C@H](O)[C@@H](O)[C@H](O)[C@]12CO |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.16E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628479
PNG
(US20230339856, Compound (IIj))
Show SMILES OC[C@@H](O)[C@H]1N2C[C@H](O)[C@@H](O)[C@H](O)[C@]12CO |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.52E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628482
PNG
(US20230339856, Compound (IIn))
Show SMILES OC[C@@]12[C@@H]([C@H](O)C3CCCCC3)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.46E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628489
PNG
(US20230339856, Compound (IIr))
Show SMILES OC[C@@]1(CCC23CC4CC(CC(C4)C2)C3)NC[C@H](O)[C@@H](O)[C@@H]1O |r,TLB:12:11:14:8.7.6,12:7:14:11.13.10,THB:13:11:8:14.5.6,13:5:8:11.12.10,4:5:8:11.12.10|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.95E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583383
PNG
(CHEMBL5028005 | US20230339856, Compound (IIb3))
Show SMILES CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 2.96E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628486
PNG
(US20230339856, Compound (IIb7))
Show SMILES OC[C@@]1(CCC2CCCCC2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.16E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628488
PNG
(US20230339856, Compound (IIc1))
Show SMILES OC[C@@]1(CCCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.29E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628473
PNG
(US20230339856, Compound (IIc))
Show SMILES OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.72E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628485
PNG
(US20230339856, Compound (IIx1))
Show SMILES C[Si](C)(C)CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.03E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628481
PNG
(US20230339856, Compound (IIm))
Show SMILES OC[C@@]12[C@@H]([C@H](O)c3ccccc3)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.50E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583381
PNG
(CHEMBL5029066 | US20230339856, Compound (IIb1))
Show SMILES CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.91E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583379
PNG
(CHEMBL5028138 | US20230339856, Compound (IIb))
Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.04E+5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628474
PNG
(US20230339856, Compound (IId))
Show SMILES OCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.82E+5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM628475
PNG
(US20230339856, Compound (IIf))
Show SMILES OC[C@@]12CCCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.97E+5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50583378
PNG
(CHEMBL5028084 | US20230339856, Compound (IIa))
Show SMILES CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.41E+5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50124581
PNG
(CHEMBL3621529 | US20230339856, Compound (IIg))
Show SMILES OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.87E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair