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Patent code US10836741

Compile Data Set for Download or QSAR
Found 13 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
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421825
PNG
(N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-y...)
Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(C)=O)ccc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a<200n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM472840
PNG
((R)-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-...)
Show SMILES COc1cccc2c1ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O
Show InChI InChI=1S/C25H29N3O4/c1-18(19-7-4-3-5-8-19)15-22(29)27-13-11-25(31,12-14-27)16-28-17-26-23-20(24(28)30)9-6-10-21(23)32-2/h3-10,17-18,31H,11-16H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a<200n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421629
PNG
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)
Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O
Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a<200n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421823
PNG
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)
Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3c(C)cccc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-18-7-6-10-21-23(18)26-17-28(24(21)30)16-25(31)11-13-27(14-12-25)22(29)15-19(2)20-8-4-3-5-9-20/h3-10,17,19,31H,11-16H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a<200n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421824
PNG
(7-amino-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidi...)
Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(N)ccc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C24H28N4O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15,25H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a<200n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421629
PNG
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)
Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O
Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a<200n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421834
PNG
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)
Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cccnc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c1-17(18-6-3-2-4-7-18)14-20(28)26-12-9-23(30,10-13-26)15-27-16-25-19-8-5-11-24-21(19)22(27)29/h2-8,11,16-17,30H,9-10,12-15H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421830
PNG
(3-((1-benzoyl-4-hydroxypiperidin-4-yl)methyl)-8-ph...)
Show SMILES OC1(Cn2cnc3c(cccc3c2=O)-c2ccccc2)CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H25N3O3/c31-25(21-10-5-2-6-11-21)29-16-14-27(33,15-17-29)18-30-19-28-24-22(20-8-3-1-4-9-20)12-7-13-23(24)26(30)32/h1-13,19,33H,14-18H2
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421831
PNG
(3-((1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl)me...)
Show SMILES OC1(Cn2cnc3c(Oc4ccc(F)cc4)cccc3c2=O)CCN(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H23F2N3O4/c28-19-6-4-18(5-7-19)25(33)31-14-12-27(35,13-15-31)16-32-17-30-24-22(26(32)34)2-1-3-23(24)36-21-10-8-20(29)9-11-21/h1-11,17,35H,12-16H2
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM472841
PNG
(3-((1-(1-benzylindoline-5-carbonyl)-4-hydroxypiper...)
Show SMILES Cc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)c1ccc3n(Cc4ccccc4)ccc3c1)c2=O
Show InChI InChI=1S/C31H30N4O3/c1-22-7-9-26-27(17-22)32-21-35(30(26)37)20-31(38)12-15-33(16-13-31)29(36)25-8-10-28-24(18-25)11-14-34(28)19-23-5-3-2-4-6-23/h2-11,14,17-18,21,38H,12-13,15-16,19-20H2,1H3
PDB

GoogleScholar
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421833
PNG
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)
Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cnccc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c1-17(18-5-3-2-4-6-18)13-21(28)26-11-8-23(30,9-12-26)15-27-16-25-20-14-24-10-7-19(20)22(27)29/h2-7,10,14,16-17,30H,8-9,11-13,15H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421832
PNG
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)
Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3ncccc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c1-17(18-6-3-2-4-7-18)14-20(28)26-12-9-23(30,10-13-26)15-27-16-25-21-19(22(27)29)8-5-11-24-21/h2-8,11,16-17,30H,9-10,12-15H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


Citation and Details
More data for this
Ligand-Target Pair
USP7 (aa 208-1102)


(Homo sapiens (Human))
BDBM421829
PNG
(3-((1-benzoyl-4-hydroxypiperidin-4-yl)methyl)-7-ph...)
Show SMILES OC1(Cn2cnc3cc(ccc3c2=O)-c2ccccc2)CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H25N3O3/c31-25(21-9-5-2-6-10-21)29-15-13-27(33,14-16-29)18-30-19-28-24-17-22(11-12-23(24)26(30)32)20-7-3-1-4-8-20/h1-12,17,19,33H,13-16,18H2
PDB

GoogleScholar
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46...


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