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Patent code US10813942

Compile Data Set for Download or QSAR
Found 17 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408857
PNG
(US10376531, Compound 17 | US10813942, Compound 17)
Show SMILES CCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C11H19NO6/c1-3-16-4-11-5-17-10(18-11)7(12-6(2)13)8(14)9(11)15/h7-10,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10?,11+/m1/s1
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n/an/an/a 3.80E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408863
PNG
(US10376531, Compound 24 | US10813942, Compound 24)
Show SMILES OC[C@@]12CO[C@@H](O1)[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C9H12F3NO6/c10-9(11,12)7(17)13-3-4(15)5(16)8(1-14)2-18-6(3)19-8/h3-6,14-16H,1-2H2,(H,13,17)/t3-,4-,5-,6?,8+/m1/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408859
PNG
(US10376531, Compound 19 | US10813942, Compound 19)
Show SMILES CCCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C13H23NO6/c1-3-4-5-18-6-13-7-19-12(20-13)9(14-8(2)15)10(16)11(13)17/h9-12,16-17H,3-7H2,1-2H3,(H,14,15)/t9-,10-,11-,12?,13+/m1/s1
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n/an/an/a 4.70E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408861
PNG
(US10376531, Compound 22 | US10813942, Compound 22)
Show SMILES COCCOCCOCCOCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C18H33NO10/c1-13(20)19-14-15(21)16(22)18(12-28-17(14)29-18)11-27-10-9-26-8-7-25-6-5-24-4-3-23-2/h14-17,21-22H,3-12H2,1-2H3,(H,19,20)/t14-,15-,16-,17?,18+/m1/s1
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n/an/an/a 6.50E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408865
PNG
(US10376531, Compound 29 | US10813942, Compound 29)
Show SMILES CN([C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O)C(C)=O
Show InChI InChI=1S/C10H17NO6/c1-5(13)11(2)6-7(14)8(15)10(3-12)4-16-9(6)17-10/h6-9,12,14-15H,3-4H2,1-2H3/t6-,7-,8-,9?,10+/m1/s1
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n/an/an/a 1.02E+4n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408862
PNG
(US10376531, Compound 25 | US10813942, Compound 25)
Show SMILES CCC(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H17NO6/c1-2-5(13)11-6-7(14)8(15)10(3-12)4-16-9(6)17-10/h6-9,12,14-15H,2-4H2,1H3,(H,11,13)/t6-,7-,8-,9?,10+/m1/s1
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n/an/an/a 3.10E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408864
PNG
(US10376531, Compound 26 | US10813942, Compound 26)
Show SMILES CS(=O)(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C8H15NO7S/c1-17(13,14)9-4-5(11)6(12)8(2-10)3-15-7(4)16-8/h4-7,9-12H,2-3H2,1H3/t4-,5-,6-,7?,8+/m1/s1
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n/an/an/a 1.12E+5n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408866
PNG
(US10376531, Compound 30 | US10813942, Compound 30)
Show SMILES CN([C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O)S(C)(=O)=O
Show InChI InChI=1S/C9H17NO7S/c1-10(18(2,14)15)5-6(12)7(13)9(3-11)4-16-8(5)17-9/h5-8,11-13H,3-4H2,1-2H3/t5-,6-,7-,8?,9+/m1/s1
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n/an/an/a 1.61E+5n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408869
PNG
(US10376531, Compound 31 | US10813942, Compound 31)
Show SMILES CN([C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C13H23NO7/c1-12(2,3)21-11(18)14(4)7-8(16)9(17)13(5-15)6-19-10(7)20-13/h7-10,15-17H,5-6H2,1-4H3/t7-,8-,9-,10?,13+/m1/s1
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n/an/an/a 1.37E+4n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408860
PNG
(US10376531, Compound 21 | US10813942, Compound 21)
Show SMILES CCCCCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C15H27NO6/c1-3-4-5-6-7-20-8-15-9-21-14(22-15)11(16-10(2)17)12(18)13(15)19/h11-14,18-19H,3-9H2,1-2H3,(H,16,17)/t11-,12-,13-,14?,15+/m1/s1
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n/an/an/a 2.60E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408868
PNG
(US10376531, Compound 28 | US10813942, Compound 28)
Show SMILES OC[C@@]12CO[C@@H](O1)[C@H](NC(=O)CC(F)(F)F)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C10H14F3NO6/c11-10(12,13)1-4(16)14-5-6(17)7(18)9(2-15)3-19-8(5)20-9/h5-8,15,17-18H,1-3H2,(H,14,16)/t5-,6-,7-,8?,9+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408856
PNG
(US10376531, Compound 18 | US10813942, Compound 18)
Show SMILES CCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C12H21NO6/c1-3-4-17-5-12-6-18-11(19-12)8(13-7(2)14)9(15)10(12)16/h8-11,15-16H,3-6H2,1-2H3,(H,13,14)/t8-,9-,10-,11?,12+/m1/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408855
PNG
(US10376531, Compound 1 | US10813942, Compound 1)
Show SMILES OC[C@@]12CO[C@@H](O1)[C@H](N=[N+]=[N-])[C@@H](O)[C@H]2O
Show InChI InChI=1S/C7H11N3O5/c8-10-9-3-4(12)5(13)7(1-11)2-14-6(3)15-7/h3-6,11-13H,1-2H2/t3-,4-,5-,6?,7+/m1/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408853
PNG
(US10376531, Compound 3 | US10813942, Compound 3)
Show SMILES CC(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C9H15NO6/c1-4(12)10-5-6(13)7(14)9(2-11)3-15-8(5)16-9/h5-8,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6-,7-,8?,9+/m1/s1
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n/an/an/a 7.18E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408854
PNG
(US10376531, Compound II-b | US10813942, Compound I...)
Show SMILES CO[C@H]1OC(CO)(CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C10H19NO7/c1-5(14)11-6-7(15)8(16)10(3-12,4-13)18-9(6)17-2/h6-9,12-13,15-16H,3-4H2,1-2H3,(H,11,14)/t6-,7-,8-,9+/m1/s1
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n/an/an/a 2.50E+5n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408858
PNG
(US10376531, Compound 20 | US10813942, Compound 20)
Show SMILES CCCCCOC[C@@]12CO[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C14H25NO6/c1-3-4-5-6-19-7-14-8-20-13(21-14)10(15-9(2)16)11(17)12(14)18/h10-13,17-18H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-,13?,14+/m1/s1
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n/an/an/a 3.40E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


Citation and Details
More data for this
Ligand-Target Pair
Asialoglycoprotein receptor 1


(Homo sapiens (Human))
BDBM408867
PNG
(US10376531, Compound 27 | US10813942, Compound 27)
Show SMILES OC[C@@]12CO[C@@H](O1)[C@H](NC(=O)C(F)F)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C9H13F2NO6/c10-6(11)7(16)12-3-4(14)5(15)9(1-13)2-17-8(3)18-9/h3-6,8,13-15H,1-2H2,(H,12,16)/t3-,4-,5-,8?,9+/m1/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a


TBA

Assay Description
All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25 C. Biotinylated ASGPR was immobilized typically at 200...


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