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Compile Data Set for Download or QSAR

Found 5 hits of Enz. Inhib. data with enzyme = 'Beta-hexosaminidase subunit beta (Hex B)' and Substrate = 'to-be-curated'   
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
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304400
PNG
(US10143668, Compound 1d)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CC(=O)N(C)CC(O)CO
Show InChI InChI=1S/C22H47N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24(3,4)19-22(27)23(2)18-21(26)20-25/h21,25-26H,5-20H2,1-4H3/q+1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304327
PNG
(US10143668, Compound 1a)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C25H53N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27(3,4)19-23(31)26(2)18-21(29)24(32)25(33)22(30)20-28/h21-22,24-25,28-30,32-33H,5-20H2,1-4H3/q+1/t21-,22+,24+,25+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.80E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 4.20E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304339
PNG
(US10143668, Compound 1b)
Show SMILES CCCCCCCCCCCCCCN(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C24H50N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(2)18-22(30)26(3)17-20(28)23(31)24(32)21(29)19-27/h20-21,23-24,27-29,31-32H,4-19H2,1-3H3/t20-,21+,23+,24+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.90E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304357
PNG
(US10143668, Compound 1c)
Show SMILES CCCCCCCCCCCCN(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C22H46N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-23(2)16-20(28)24(3)15-18(26)21(29)22(30)19(27)17-25/h18-19,21-22,25-27,29-30H,4-17H2,1-3H3/t18-,19+,21+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.23E+4n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair