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Patent code US11021454

Compile Data Set for Download or QSAR
Found 44 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
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM181133
PNG
(US10093658, Compound Allopurinol | US10752613, Com...)
Show SMILES Oc1ncnc2[nH]ncc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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US Patent
n/an/a 2.31E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233807
PNG
(CHEMBL4078844 | US11021454, Compound 6c)
Show SMILES C[C@H](NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C20H17NO7/c1-10(20(26)27)21-18(25)7-4-11-2-6-15(23)19-13(11)9-17(28-19)12-3-5-14(22)16(24)8-12/h2-10,22-24H,1H3,(H,21,25)(H,26,27)/b7-4+/t10-/m0/s1
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n/an/a 3.27E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233811
PNG
(CHEMBL4101271 | US11021454, Compound 6f)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H22N2O7/c31-22-8-6-16(12-24(22)33)25-13-19-15(5-9-23(32)27(19)37-25)7-10-26(34)30-21(28(35)36)11-17-14-29-20-4-2-1-3-18(17)20/h1-10,12-14,21,29,31-33H,11H2,(H,30,34)(H,35,36)/b10-7+/t21-/m1/s1
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n/an/a 3.86E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233803
PNG
(CHEMBL4103606 | US11021454, Compound 5b)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO9/c1-36-27(35)18(10-14-2-6-19(29)22(32)11-14)28-25(34)9-5-15-3-8-21(31)26-17(15)13-24(37-26)16-4-7-20(30)23(33)12-16/h2-9,11-13,18,29-33H,10H2,1H3,(H,28,34)/b9-5+/t18-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233803
PNG
(CHEMBL4103606 | US11021454, Compound 5b)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO9/c1-36-27(35)18(10-14-2-6-19(29)22(32)11-14)28-25(34)9-5-15-3-8-21(31)26-17(15)13-24(37-26)16-4-7-20(30)23(33)12-16/h2-9,11-13,18,29-33H,10H2,1H3,(H,28,34)/b9-5+/t18-/m1/s1
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n/an/a 3.99E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233820
PNG
(CHEMBL4104607 | US11021454, Compound 6d)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO7/c28-20-9-7-17(13-22(20)30)23-14-18-16(6-10-21(29)25(18)34-23)8-11-24(31)27-19(26(32)33)12-15-4-2-1-3-5-15/h1-11,13-14,19,28-30H,12H2,(H,27,31)(H,32,33)/b11-8+/t19-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233808
PNG
(CHEMBL4086701 | US11021454, Compound 6e)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO8/c28-17-6-1-14(2-7-17)11-19(26(33)34)27-24(32)10-5-15-3-9-21(30)25-18(15)13-23(35-25)16-4-8-20(29)22(31)12-16/h1-10,12-13,19,28-31H,11H2,(H,27,32)(H,33,34)/b10-5+/t19-/m0/s1
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n/an/a 4.51E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233806
PNG
(CHEMBL4102185 | US11021454, Compound 6a)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO9/c28-18-5-1-13(10-21(18)31)9-17(26(34)35)27-24(33)8-4-14-2-7-20(30)25-16(14)12-23(36-25)15-3-6-19(29)22(32)11-15/h1-8,10-12,17,28-32H,9H2,(H,27,33)(H,34,35)/b8-4+/t17-/m0/s1
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n/an/a 4.52E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233806
PNG
(CHEMBL4102185 | US11021454, Compound 6a)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO9/c28-18-5-1-13(10-21(18)31)9-17(26(34)35)27-24(33)8-4-14-2-7-20(30)25-16(14)12-23(36-25)15-3-6-19(29)22(32)11-15/h1-8,10-12,17,28-32H,9H2,(H,27,33)(H,34,35)/b8-4+/t17-/m0/s1
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n/an/a 4.81E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233811
PNG
(CHEMBL4101271 | US11021454, Compound 6f)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H22N2O7/c31-22-8-6-16(12-24(22)33)25-13-19-15(5-9-23(32)27(19)37-25)7-10-26(34)30-21(28(35)36)11-17-14-29-20-4-2-1-3-18(17)20/h1-10,12-14,21,29,31-33H,11H2,(H,30,34)(H,35,36)/b10-7+/t21-/m1/s1
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n/an/a 4.98E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233815
PNG
(CHEMBL4071391 | US11021454, Compound 6b)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO9/c28-18-5-1-13(10-21(18)31)9-17(26(34)35)27-24(33)8-4-14-2-7-20(30)25-16(14)12-23(36-25)15-3-6-19(29)22(32)11-15/h1-8,10-12,17,28-32H,9H2,(H,27,33)(H,34,35)/b8-4+/t17-/m1/s1
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n/an/a 5.61E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 6.00E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233820
PNG
(CHEMBL4104607 | US11021454, Compound 6d)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO7/c28-20-9-7-17(13-22(20)30)23-14-18-16(6-10-21(29)25(18)34-23)8-11-24(31)27-19(26(32)33)12-15-4-2-1-3-5-15/h1-11,13-14,19,28-30H,12H2,(H,27,31)(H,32,33)/b11-8+/t19-/m0/s1
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n/an/a 6.04E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233807
PNG
(CHEMBL4078844 | US11021454, Compound 6c)
Show SMILES C[C@H](NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C20H17NO7/c1-10(20(26)27)21-18(25)7-4-11-2-6-15(23)19-13(11)9-17(28-19)12-3-5-14(22)16(24)8-12/h2-10,22-24H,1H3,(H,21,25)(H,26,27)/b7-4+/t10-/m0/s1
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n/an/a 6.36E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233808
PNG
(CHEMBL4086701 | US11021454, Compound 6e)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO8/c28-17-6-1-14(2-7-17)11-19(26(33)34)27-24(32)10-5-15-3-9-21(30)25-18(15)13-23(35-25)16-4-8-20(29)22(31)12-16/h1-10,12-13,19,28-31H,11H2,(H,27,32)(H,33,34)/b10-5+/t19-/m0/s1
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n/an/a 6.47E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233805
PNG
(CHEMBL4077922 | US11021454, Compound Salvianolic a...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
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n/an/a 6.87E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233805
PNG
(CHEMBL4077922 | US11021454, Compound Salvianolic a...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
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n/an/a 8.26E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233817
PNG
(CHEMBL4095851 | US11021454, Compound 5d)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO7/c1-34-27(33)20(13-16-5-3-2-4-6-16)28-25(32)12-9-17-7-11-22(30)26-19(17)15-24(35-26)18-8-10-21(29)23(31)14-18/h2-12,14-15,20,29-31H,13H2,1H3,(H,28,32)/b12-9+/t20-/m0/s1
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n/an/a 8.66E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233754
PNG
(CHEMBL4085672 | US11021454, Compound 5a)
Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO9/c1-36-27(35)18(10-14-2-6-19(29)22(32)11-14)28-25(34)9-5-15-3-8-21(31)26-17(15)13-24(37-26)16-4-7-20(30)23(33)12-16/h2-9,11-13,18,29-33H,10H2,1H3,(H,28,34)/b9-5+/t18-/m0/s1
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n/an/a 8.79E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233754
PNG
(CHEMBL4085672 | US11021454, Compound 5a)
Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO9/c1-36-27(35)18(10-14-2-6-19(29)22(32)11-14)28-25(34)9-5-15-3-8-21(31)26-17(15)13-24(37-26)16-4-7-20(30)23(33)12-16/h2-9,11-13,18,29-33H,10H2,1H3,(H,28,34)/b9-5+/t18-/m0/s1
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n/an/a 9.88E+3n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233802
PNG
(CHEMBL4077819 | US11021454, Compound 5c)
Show SMILES COC(=O)[C@H](C)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H19NO7/c1-11(21(27)28-2)22-19(26)8-5-12-3-7-16(24)20-14(12)10-18(29-20)13-4-6-15(23)17(25)9-13/h3-11,23-25H,1-2H3,(H,22,26)/b8-5+/t11-/m0/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233802
PNG
(CHEMBL4077819 | US11021454, Compound 5c)
Show SMILES COC(=O)[C@H](C)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H19NO7/c1-11(21(27)28-2)22-19(26)8-5-12-3-7-16(24)20-14(12)10-18(29-20)13-4-6-15(23)17(25)9-13/h3-11,23-25H,1-2H3,(H,22,26)/b8-5+/t11-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233815
PNG
(CHEMBL4071391 | US11021454, Compound 6b)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H21NO9/c28-18-5-1-13(10-21(18)31)9-17(26(34)35)27-24(33)8-4-14-2-7-20(30)25-16(14)12-23(36-25)15-3-6-19(29)22(32)11-15/h1-8,10-12,17,28-32H,9H2,(H,27,33)(H,34,35)/b8-4+/t17-/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233800
PNG
(CHEMBL4074420 | US11021454, Compound 5f)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H24N2O7/c1-37-29(36)22(12-18-15-30-21-5-3-2-4-19(18)21)31-27(35)11-8-16-6-10-24(33)28-20(16)14-26(38-28)17-7-9-23(32)25(34)13-17/h2-11,13-15,22,30,32-34H,12H2,1H3,(H,31,35)/b11-8+/t22-/m1/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233801
PNG
(CHEMBL4101163 | US11021454, Compound 5e)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO8/c1-35-27(34)20(12-15-2-7-18(29)8-3-15)28-25(33)11-6-16-4-10-22(31)26-19(16)14-24(36-26)17-5-9-21(30)23(32)13-17/h2-11,13-14,20,29-32H,12H2,1H3,(H,28,33)/b11-6+/t20-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500007
PNG
(US11021454, Compound 9a)
Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H29NO9/c1-36-24-10-7-19(15-27(24)38-3)26-16-20-18(6-11-25(37-2)29(20)40-26)8-12-28(34)31-21(30(35)39-4)13-17-5-9-22(32)23(33)14-17/h5-12,14-16,21,32-33H,13H2,1-4H3,(H,31,34)/b12-8+/t21-/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233817
PNG
(CHEMBL4095851 | US11021454, Compound 5d)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO7/c1-34-27(33)20(13-16-5-3-2-4-6-16)28-25(32)12-9-17-7-11-22(30)26-19(17)15-24(35-26)18-8-10-21(29)23(31)14-18/h2-12,14-15,20,29-31H,13H2,1H3,(H,28,32)/b12-9+/t20-/m0/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500009
PNG
(US11021454, Compound 10a)
Show SMILES COc1ccc(cc1OC)-c1cc2c(\C=C\C(=O)N[C@@H](Cc3ccc(O)c(O)c3)C(O)=O)ccc(OC)c2o1
Show InChI InChI=1S/C29H27NO9/c1-36-23-9-6-18(14-26(23)38-3)25-15-19-17(5-10-24(37-2)28(19)39-25)7-11-27(33)30-20(29(34)35)12-16-4-8-21(31)22(32)13-16/h4-11,13-15,20,31-32H,12H2,1-3H3,(H,30,33)(H,34,35)/b11-7+/t20-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500008
PNG
(US11021454, Compound 9b)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H29NO9/c1-36-24-10-7-19(15-27(24)38-3)26-16-20-18(6-11-25(37-2)29(20)40-26)8-12-28(34)31-21(30(35)39-4)13-17-5-9-22(32)23(33)14-17/h5-12,14-16,21,32-33H,13H2,1-4H3,(H,31,34)/b12-8+/t21-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233800
PNG
(CHEMBL4074420 | US11021454, Compound 5f)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H24N2O7/c1-37-29(36)22(12-18-15-30-21-5-3-2-4-19(18)21)31-27(35)11-8-16-6-10-24(33)28-20(16)14-26(38-28)17-7-9-23(32)25(34)13-17/h2-11,13-15,22,30,32-34H,12H2,1H3,(H,31,35)/b11-8+/t22-/m1/s1
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n/an/a 3.17E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50233801
PNG
(CHEMBL4101163 | US11021454, Compound 5e)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c2oc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H23NO8/c1-35-27(34)20(12-15-2-7-18(29)8-3-15)28-25(33)11-6-16-4-10-22(31)26-19(16)14-24(36-26)17-5-9-21(30)23(32)13-17/h2-11,13-14,20,29-32H,12H2,1H3,(H,28,33)/b11-6+/t20-/m0/s1
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n/an/a 4.73E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500007
PNG
(US11021454, Compound 9a)
Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H29NO9/c1-36-24-10-7-19(15-27(24)38-3)26-16-20-18(6-11-25(37-2)29(20)40-26)8-12-28(34)31-21(30(35)39-4)13-17-5-9-22(32)23(33)14-17/h5-12,14-16,21,32-33H,13H2,1-4H3,(H,31,34)/b12-8+/t21-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM18129
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500008
PNG
(US11021454, Compound 9b)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H29NO9/c1-36-24-10-7-19(15-27(24)38-3)26-16-20-18(6-11-25(37-2)29(20)40-26)8-12-28(34)31-21(30(35)39-4)13-17-5-9-22(32)23(33)14-17/h5-12,14-16,21,32-33H,13H2,1-4H3,(H,31,34)/b12-8+/t21-/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50142500
PNG
((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...)
Show SMILES CSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500006
PNG
(US11021454, Compound 7)
Show SMILES COC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)OC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C32H32O10/c1-35-23-11-7-19(15-27(23)38-4)16-29(32(34)40-6)41-30(33)14-10-20-8-13-25(37-3)31-22(20)18-26(42-31)21-9-12-24(36-2)28(17-21)39-5/h7-15,17-18,29H,16H2,1-6H3/b14-10+/t29-/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM18073
PNG
((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500011
PNG
(US11021454, Compound D-dopa)
Show SMILES N[C@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50109609
PNG
((2R)-2-amino-3-mercaptopropanoic acid | (2R)-2-ami...)
Show SMILES N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
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US Patent
n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500009
PNG
(US11021454, Compound 10a)
Show SMILES COc1ccc(cc1OC)-c1cc2c(\C=C\C(=O)N[C@@H](Cc3ccc(O)c(O)c3)C(O)=O)ccc(OC)c2o1
Show InChI InChI=1S/C29H27NO9/c1-36-23-9-6-18(14-26(23)38-3)25-15-19-17(5-10-24(37-2)28(19)39-25)7-11-27(33)30-20(29(34)35)12-16-4-8-21(31)22(32)13-16/h4-11,13-15,20,31-32H,12H2,1-3H3,(H,30,33)(H,34,35)/b11-7+/t20-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50000099
PNG
((2S)-2-aminopropanoic acid | (S)-2-aminopropanoic ...)
Show SMILES C[C@H](N)C(O)=O
Show InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM21974
PNG
((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM60928
PNG
(BDBM50130192 | L-3,4-dihydroxyphenylalanine | L-DO...)
Show SMILES N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...


US Patent US11021454 (2021)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM500006
PNG
(US11021454, Compound 7)
Show SMILES COC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)OC(=O)\C=C\c1ccc(OC)c2oc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C32H32O10/c1-35-23-11-7-19(15-27(23)38-4)16-29(32(34)40-6)41-30(33)14-10-20-8-13-25(37-3)31-22(20)18-26(42-31)21-9-12-24(36-2)28(17-21)39-5/h7-15,17-18,29H,16H2,1-6H3/b14-10+/t29-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CHINA PHARMACEUTICAL UNIVERSITY

US Patent


Assay Description
12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and pe...


US Patent US11021454 (2021)

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