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Patent code US10227373

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
S-Adenosylhomocysteine Hydrolase


(Oryctolagus cuniculus (Rabbit))
BDBM369458
PNG
(US10227373, Compound D-Isoneplanocin)
Show SMILES Nc1ncnc2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-5,8-9,17-19H,2H2,(H2,12,13,14)/t5-,8-,9+/s2
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)

More data for this
Ligand-Target Pair
S-Adenosylhomocysteine Hydrolase


(Oryctolagus cuniculus (Rabbit))
BDBM50140074
PNG
(CHEMBL2059155 | US10227373, Compound 3-Bromo-3-dea...)
Show SMILES Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4,7,10-11,18-20H,3H2,(H2,14,15)/t7-,10-,11+/s2
MMDB

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Similars

US Patent
n/an/a 2.70n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)

More data for this
Ligand-Target Pair
S-Adenosylhomocysteine Hydrolase


(Oryctolagus cuniculus (Rabbit))
BDBM50096906
PNG
(CHEMBL154745 | US10227373, Compound D-3-Deazaisone...)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1
MMDB

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PC cid
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UniChem

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US Patent
n/an/a 3.19n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)

More data for this
Ligand-Target Pair
S-Adenosylhomocysteine Hydrolase


(Oryctolagus cuniculus (Rabbit))
BDBM369457
PNG
(US10227373, Compound 3-Deazaneplanocin)
Show SMILES Nc1nccc2n(cnc12)C1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8?,10-,11+/s2
MMDB

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US Patent
n/an/a 9.30n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)

More data for this
Ligand-Target Pair
S-Adenosylhomocysteine Hydrolase


(Oryctolagus cuniculus (Rabbit))
BDBM369459
PNG
(US10227373, Compound L-Isoneplanocin)
Show SMILES Nc1ncnc2n(cnc12)C1=C[C@@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-5,8-9,17-19H,2H2,(H2,12,13,14)/t5-,8+,9-/s2
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)

More data for this
Ligand-Target Pair
S-Adenosylhomocysteine Hydrolase


(Oryctolagus cuniculus (Rabbit))
BDBM369461
PNG
(US10227373, Compound L-3-Deazaisoneplanocin)
Show SMILES Nc1nccc2n(cnc12)[C@H]1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10+,11-/s2
MMDB

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PC cid
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%