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USPatent US10844044

Compile Data Set for Download or QSAR

Found 364 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
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473225
PNG
(US10844044, Example 283)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1F)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H25F6N3O2/c1-15-10-18(4-7-24(15)31)26(17-2-3-17)37-27(39)22-12-16(14-38-8-9-40-28(38)36)11-21(25(22)32)20-6-5-19(30)13-23(20)29(33,34)35/h4-7,10-13,17,26,36H,2-3,8-9,14H2,1H3,(H,37,39)/t26-/m0/s1
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 0.0200n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473480
PNG
(US10844044, Example 72)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ncc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H26F5N5O/c1-16-9-19(5-6-24(16)31)25(18-3-4-18)37-27(40)21-11-17(15-39-8-7-38(2)28(39)35)10-20(12-21)26-23(29(32,33)34)13-22(30)14-36-26/h5-14,18,25,35H,3-4,15H2,1-2H3,(H,37,40)/t25-/m0/s1
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 0.0500n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473383
PNG
(US10844044, Example 230)
Show SMILES C[C@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C27H25F2N3O2/c1-16-11-23(28)5-6-24(16)21-12-19(15-32-8-9-34-27(32)30)13-22(14-21)26(33)31-18(3)20-4-7-25(29)17(2)10-20/h4-14,18,30H,15H2,1-3H3,(H,31,33)/t18-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473393
PNG
(US10844044, Example 232)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C)C1CC1 |r|
Show InChI InChI=1S/C29H27F2N3O2/c1-17-12-24(30)6-7-25(17)22-13-19(16-34-9-10-36-29(34)32)14-23(15-22)28(35)33-27(20-3-4-20)21-5-8-26(31)18(2)11-21/h5-15,20,27,32H,3-4,16H2,1-2H3,(H,33,35)/t27-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473215
PNG
(US10844044, Example 98)
Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C(F)(F)F)cc(OC)c1
Show InChI InChI=1S/C28H26F4N4O3/c1-35-6-7-36(27(35)33)16-18-8-19(24-5-4-21(29)13-25(24)28(30,31)32)12-20(9-18)26(37)34-15-17-10-22(38-2)14-23(11-17)39-3/h4-14,33H,15-16H2,1-3H3,(H,34,37)
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50520121
PNG
(CHEMBL4441671 | US10844044, Example 1)
Show SMILES Cc1nc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2FN5O/c1-15-20(4-6-23(28)31-15)18-9-17(14-33-8-7-32(2)25(33)29)10-19(12-18)24(34)30-13-16-3-5-21(26)22(27)11-16/h3-12,29H,13-14H2,1-2H3,(H,30,34)
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473193
PNG
(US10844044, Example 275)
Show SMILES CC(C)n1cc(c(n1)C(F)(F)F)-c1cc(CN2CCOC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C29H31F4N5O2/c1-16(2)38-15-23(26(36-38)29(31,32)33)21-11-18(14-37-8-9-40-28(37)34)12-22(13-21)27(39)35-25(19-4-5-19)20-6-7-24(30)17(3)10-20/h6-7,10-13,15-16,19,25,34H,4-5,8-9,14H2,1-3H3,(H,35,39)/t25-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473232
PNG
(US10844044, Example 193)
Show SMILES CC(C)n1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C30H32F4N6O/c1-17(2)40-16-24(27(37-40)30(32,33)34)22-12-19(15-39-10-9-38(4)29(39)35)13-23(14-22)28(41)36-26(20-5-6-20)21-7-8-25(31)18(3)11-21/h7-14,16-17,20,26,35H,5-6,15H2,1-4H3,(H,36,41)/t26-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473287
PNG
(US10844044, Example 298)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccoc2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C27H24ClF4N5O2/c1-2-37-14-20(24(35-37)27(30,31)32)18-9-15(13-36-7-8-39-26(36)33)10-19(11-18)25(38)34-23(16-3-4-16)17-5-6-22(29)21(28)12-17/h5-12,14,16,23,33H,2-4,13H2,1H3,(H,34,38)/t23-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473310
PNG
(US10844044, Example 212)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C29H30F4N6O/c1-4-39-16-23(26(36-39)29(31,32)33)21-12-18(15-38-10-9-37(3)28(38)34)13-22(14-21)27(40)35-25(19-5-6-19)20-7-8-24(30)17(2)11-20/h7-14,16,19,25,34H,4-6,15H2,1-3H3,(H,35,40)/t25-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473315
PNG
(US10844044, Example 305)
Show SMILES COc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H26F4N4O3/c1-38-23-14-18(6-7-22(23)29)24(17-4-5-17)35-26(37)20-12-16(15-36-9-10-39-27(36)33)11-19(13-20)21-3-2-8-34-25(21)28(30,31)32/h2-3,6-8,11-14,17,24,33H,4-5,9-10,15H2,1H3,(H,35,37)/t24-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473319
PNG
(US10844044, Example 306)
Show SMILES COc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H25F4N5O3/c1-35-14-20(24(34-35)27(29,30)31)18-9-15(13-36-7-8-39-26(36)32)10-19(11-18)25(37)33-23(16-3-4-16)17-5-6-21(28)22(12-17)38-2/h5-12,14,16,23,32H,3-4,13H2,1-2H3,(H,33,37)/t23-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473326
PNG
(US10844044, Example 216)
Show SMILES CC(C)n1cc(c(n1)C(F)(F)F)-c1cc(CN2CCN(C)C2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C29H31F5N6O/c1-16(2)40-15-22(26(37-40)29(32,33)34)20-10-17(14-39-9-8-38(3)28(39)35)11-21(12-20)27(41)36-25(18-4-5-18)19-6-7-23(30)24(31)13-19/h6-7,10-13,15-16,18,25,35H,4-5,8-9,14H2,1-3H3,(H,36,41)/t25-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473346
PNG
(US10844044, Example 221)
Show SMILES COc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H27F4N7O2/c1-36-6-7-38(26(36)32)13-15-8-17(19-14-37(2)35-24(19)27(29,30)31)10-18(9-15)25(39)34-23(16-4-5-16)21-11-22(40-3)20(28)12-33-21/h6-12,14,16,23,32H,4-5,13H2,1-3H3,(H,34,39)/t23-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473370
PNG
(US10844044, Example 136)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccnc2CCCc12)C1CC1 |r|
Show InChI InChI=1S/C31H32FN5O/c1-19-14-22(8-9-27(19)32)29(21-6-7-21)35-30(38)24-16-20(18-37-13-12-36(2)31(37)33)15-23(17-24)25-10-11-34-28-5-3-4-26(25)28/h8-17,21,29,33H,3-7,18H2,1-2H3,(H,35,38)/t29-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473380
PNG
(US10844044, Example 321)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccsc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H25F4N5OS/c1-15-9-18(5-6-22(15)28)23(17-3-4-17)33-25(37)20-11-16(13-36-7-8-38-26(36)32)10-19(12-20)21-14-35(2)34-24(21)27(29,30)31/h5-12,14,17,23,32H,3-4,13H2,1-2H3,(H,33,37)/t23-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473306
PNG
(US10844044, Example 157 | US10844044, Example 211)
Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H25Cl2F3N6O/c1-36-7-8-38(26(36)33)13-15-9-18(20-14-37(2)35-24(20)27(30,31)32)11-19(10-15)25(39)34-23(16-3-4-16)17-5-6-21(28)22(29)12-17/h5-12,14,16,23,33H,3-4,13H2,1-2H3,(H,34,39)/t23-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473458
PNG
(US10844044, Example 248)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1Cl)C1CC1 |r|
Show InChI InChI=1S/C28H24ClF2N3O2/c1-16-10-19(4-7-25(16)31)26(18-2-3-18)33-27(35)21-12-17(15-34-8-9-36-28(34)32)11-20(13-21)23-6-5-22(30)14-24(23)29/h4-14,18,26,32H,2-3,15H2,1H3,(H,33,35)/t26-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473469
PNG
(US10844044, Example 160)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C31H32F4N6O/c1-3-40-17-25(28(38-40)31(33,34)35)22-13-19(16-39-10-11-41(30(39)36)24-7-8-24)14-23(15-22)29(42)37-27(20-4-5-20)21-6-9-26(32)18(2)12-21/h6,9-15,17,20,24,27,36H,3-5,7-8,16H2,1-2H3,(H,37,42)/t27-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473487
PNG
(US10844044, Example 348)
Show SMILES CCOc1c(cc(Cn2cccc(F)c2=N)cc1C1=CN(C)NC1C(F)(F)F)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r,t:20|
Show InChI InChI=1S/C31H32F5N5O2/c1-4-43-27-21(23-16-40(3)39-28(23)31(34,35)36)13-18(15-41-11-5-6-25(33)29(41)37)14-22(27)30(42)38-26(19-7-8-19)20-9-10-24(32)17(2)12-20/h5-6,9-14,16,19,26,28,37,39H,4,7-8,15H2,1-3H3,(H,38,42)/t26-,28?/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473499
PNG
(US10844044, Example 351)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2cccc(F)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H26F5N5O/c1-16-10-19(7-8-23(16)30)25(18-5-6-18)36-28(40)21-12-17(14-39-9-3-4-24(31)27(39)35)11-20(13-21)22-15-38(2)37-26(22)29(32,33)34/h3-4,7-13,15,18,25,35H,5-6,14H2,1-2H3,(H,36,40)/t25-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473556
PNG
(US10844044, Example 91)
Show SMILES Cc1ccnc(c1)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1C)C1CC1 |r|
Show InChI InChI=1S/C29H30FN5O/c1-18-8-9-32-26(12-18)27(21-4-5-21)33-28(36)23-15-20(17-35-11-10-34(3)29(35)31)14-22(16-23)25-7-6-24(30)13-19(25)2/h6-16,21,27,31H,4-5,17H2,1-3H3,(H,33,36)/t27-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473558
PNG
(US10844044, Example 274)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H25F4N3O2/c1-16-10-19(4-7-25(16)31)26(18-2-3-18)35-28(37)21-12-17(15-36-8-9-38-29(36)34)11-20(13-21)23-6-5-22(30)14-24(23)27(32)33/h4-14,18,26-27,34H,2-3,15H2,1H3,(H,35,37)/t26-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473198
PNG
(US10844044, Example 3)
Show SMILES Cc1ccnc(c1)C(NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)nc1C)C1CC1
Show InChI InChI=1S/C28H29FN6O/c1-17-8-9-31-24(12-17)26(20-4-5-20)33-27(36)22-14-19(16-35-11-10-34(3)28(35)30)13-21(15-22)23-6-7-25(29)32-18(23)2/h6-15,20,26,30H,4-5,16H2,1-3H3,(H,33,36)
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473200
PNG
(US10844044, Example 185)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1C#N)C1CC1 |r|
Show InChI InChI=1S/C30H27F2N5O/c1-18-11-21(5-8-27(18)32)28(20-3-4-20)35-29(38)23-13-19(17-37-10-9-36(2)30(37)34)12-22(14-23)26-7-6-25(31)15-24(26)16-33/h5-15,20,28,34H,3-4,17H2,1-2H3,(H,35,38)/t28-/m0/s1
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Vanderbilt University

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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473212
PNG
(US10844044, Example 188)
Show SMILES Cc1cc(ccc1Cl)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C30H27ClF4N4O/c1-17-11-20(5-8-26(17)31)27(19-3-4-19)37-28(40)22-13-18(16-39-10-9-38(2)29(39)36)12-21(14-22)24-7-6-23(32)15-25(24)30(33,34)35/h5-15,19,27,36H,3-4,16H2,1-2H3,(H,37,40)/t27-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473228
PNG
(US10844044, Example 192)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)C(=C)C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C26H26F4N4O/c1-15-10-19(6-7-22(15)27)23(18-4-5-18)32-24(35)21-12-17(14-34-9-8-33(3)25(34)31)11-20(13-21)16(2)26(28,29)30/h6-13,18,23,31H,2,4-5,14H2,1,3H3,(H,32,35)/t23-/m0/s1
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Vanderbilt University

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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473245
PNG
(US10844044, Example 196)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cc(nn1C)C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H28F4N6O/c1-16-10-19(6-7-22(16)29)25(18-4-5-18)34-26(39)21-12-17(15-38-9-8-36(2)27(38)33)11-20(13-21)23-14-24(28(30,31)32)35-37(23)3/h6-14,18,25,33H,4-5,15H2,1-3H3,(H,34,39)/t25-/m0/s1
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Vanderbilt University

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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473281
PNG
(US10844044, Example 114)
Show SMILES CCn1ccn(Cc2cc(cc(c2)-c2cccnc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(F)c(C)c2)c1=N |r|
Show InChI InChI=1S/C30H29F4N5O/c1-3-38-11-12-39(29(38)35)17-19-14-22(24-5-4-10-36-27(24)30(32,33)34)16-23(15-19)28(40)37-26(20-6-7-20)21-8-9-25(31)18(2)13-21/h4-5,8-16,20,26,35H,3,6-7,17H2,1-2H3,(H,37,40)/t26-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473307
PNG
(US10844044, Example 303)
Show SMILES CCOc1c(cc(CN2CCOC2=N)cc1-c1cn(C)nc1C(F)(F)F)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C29H31F4N5O3/c1-4-40-25-20(22-15-37(3)36-26(22)29(31,32)33)12-17(14-38-9-10-41-28(38)34)13-21(25)27(39)35-24(18-5-6-18)19-7-8-23(30)16(2)11-19/h7-8,11-13,15,18,24,34H,4-6,9-10,14H2,1-3H3,(H,35,39)/t24-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473342
PNG
(US10844044, Example 220)
Show SMILES Cc1cccc(c1)C1(CCC1)NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F
Show InChI InChI=1S/C28H29F3N6O/c1-18-6-4-7-22(12-18)27(8-5-9-27)33-25(38)21-14-19(16-37-11-10-35(2)26(37)32)13-20(15-21)23-17-36(3)34-24(23)28(29,30)31/h4,6-7,10-15,17,32H,5,8-9,16H2,1-3H3,(H,33,38)
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Vanderbilt University

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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473392
PNG
(US10844044, Example 141)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1ccc(F)cc1Cl)C1CC1 |r|
Show InChI InChI=1S/C31H29ClF2N4O/c1-18-12-21(4-9-28(18)34)29(20-2-3-20)36-30(39)23-14-19(17-37-10-11-38(31(37)35)25-6-7-25)13-22(15-23)26-8-5-24(33)16-27(26)32/h4-5,8-16,20,25,29,35H,2-3,6-7,17H2,1H3,(H,36,39)/t29-/m0/s1
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Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473394
PNG
(US10844044, Example 324)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccsc2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C27H24ClF4N5OS/c1-2-37-14-20(24(35-37)27(30,31)32)18-9-15(13-36-7-8-39-26(36)33)10-19(11-18)25(38)34-23(16-3-4-16)17-5-6-21(28)22(29)12-17/h5-12,14,16,23,33H,2-4,13H2,1H3,(H,34,38)/t23-/m0/s1
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Vanderbilt University

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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473398
PNG
(US10844044, Example 325)
Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccsc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C26H24F4N6OS/c1-14-7-21(32-11-20(14)27)22(16-3-4-16)33-24(37)18-9-15(12-36-5-6-38-25(36)31)8-17(10-18)19-13-35(2)34-23(19)26(28,29)30/h5-11,13,16,22,31H,3-4,12H2,1-2H3,(H,33,37)/t22-/m0/s1
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US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473438
PNG
(US10844044, Example 243)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H24F4N4O2/c1-16-11-19(6-7-23(16)29)24(18-4-5-18)35-26(37)21-13-17(15-36-9-10-38-27(36)33)12-20(14-21)22-3-2-8-34-25(22)28(30,31)32/h2-3,6-14,18,24,33H,4-5,15H2,1H3,(H,35,37)/t24-/m0/s1
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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473444
PNG
(US10844044, Example 63)
Show SMILES COc1cc(OC)cc(c1)C(NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1OC(F)F)C1CC1
Show InChI InChI=1S/C31H31F3N4O4/c1-37-8-9-38(31(37)35)17-18-10-20(26-7-6-23(32)15-27(26)42-30(33)34)12-22(11-18)29(39)36-28(19-4-5-19)21-13-24(40-2)16-25(14-21)41-3/h6-16,19,28,30,35H,4-5,17H2,1-3H3,(H,36,39)
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Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473473
PNG
(US10844044, Example 161)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C28H27Cl2F3N6O/c1-3-39-15-21(25(36-39)28(31,32)33)19-10-16(14-38-9-8-37(2)27(38)34)11-20(12-19)26(40)35-24(17-4-5-17)18-6-7-22(29)23(30)13-18/h6-13,15,17,24,34H,3-5,14H2,1-2H3,(H,35,40)/t24-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473496
PNG
(US10844044, Example 76)
Show SMILES Cc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2cccnc2C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C26H23ClF3N5O/c1-16-10-17(5-6-22(16)27)14-33-24(36)20-12-18(15-35-9-8-34(2)25(35)31)11-19(13-20)21-4-3-7-32-23(21)26(28,29)30/h3-13,31H,14-15H2,1-2H3,(H,33,36)
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473538
PNG
(US10844044, Example 269)
Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(CN2CCOC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C26H24Cl2F3N5O2/c1-35-13-19(23(34-35)26(29,30)31)17-8-14(12-36-6-7-38-25(36)32)9-18(10-17)24(37)33-22(15-2-3-15)16-4-5-20(27)21(28)11-16/h4-5,8-11,13,15,22,32H,2-3,6-7,12H2,1H3,(H,33,37)/t22-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473545
PNG
(US10844044, Example 179)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(OC(F)(F)F)c1)C1CC1 |r|
Show InChI InChI=1S/C24H24F4N4O2/c1-14-9-17(5-6-20(14)25)21(16-3-4-16)30-22(33)18-10-15(11-19(12-18)34-24(26,27)28)13-32-8-7-31(2)23(32)29/h5-12,16,21,29H,3-4,13H2,1-2H3,(H,30,33)/t21-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473274
PNG
(US10844044, Example 295)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(CN2CCOC2=N)cc(c1)C(=O)NCc1ccc(F)c(C)c1
Show InChI InChI=1S/C25H25F4N5O2/c1-3-34-14-20(22(32-34)25(27,28)29)18-9-17(13-33-6-7-36-24(33)30)10-19(11-18)23(35)31-12-16-4-5-21(26)15(2)8-16/h4-5,8-11,14,30H,3,6-7,12-13H2,1-2H3,(H,31,35)
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473282
PNG
(US10844044, Example 205)
Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H27F4N7O/c1-15-8-22(33-12-21(15)28)23(17-4-5-17)34-25(39)19-10-16(13-38-7-6-36(2)26(38)32)9-18(11-19)20-14-37(3)35-24(20)27(29,30)31/h6-12,14,17,23,32H,4-5,13H2,1-3H3,(H,34,39)/t23-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473224
PNG
(US10844044, Example 191 | US10844044, Example 213)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C28H27F5N6O/c1-3-39-15-21(25(36-39)28(31,32)33)19-10-16(14-38-9-8-37(2)27(38)34)11-20(12-19)26(40)35-24(17-4-5-17)18-6-7-22(29)23(30)13-18/h6-13,15,17,24,34H,3-5,14H2,1-2H3,(H,35,40)/t24-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473363
PNG
(US10844044, Example 225)
Show SMILES CCn1cc(c(C)n1)-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C29H33FN6O/c1-5-36-17-25(19(3)33-36)23-13-20(16-35-11-10-34(4)29(35)31)14-24(15-23)28(37)32-27(21-6-7-21)22-8-9-26(30)18(2)12-22/h8-15,17,21,27,31H,5-7,16H2,1-4H3,(H,32,37)/t27-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473396
PNG
(US10844044, Example 142)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C30H30F4N6O/c1-17-11-20(5-8-25(17)31)26(19-3-4-19)36-28(41)22-13-18(15-39-9-10-40(29(39)35)23-6-7-23)12-21(14-22)24-16-38(2)37-27(24)30(32,33)34/h5,8-14,16,19,23,26,35H,3-4,6-7,15H2,1-2H3,(H,36,41)/t26-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473400
PNG
(US10844044, Example 143)
Show SMILES CN1CCN(Cc2cc(cc(c2)-c2cccnc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(F)c(C)c2)C1=N |r|
Show InChI InChI=1S/C29H29F4N5O/c1-17-12-20(7-8-24(17)30)25(19-5-6-19)36-27(39)22-14-18(16-38-11-10-37(2)28(38)34)13-21(15-22)23-4-3-9-35-26(23)29(31,32)33/h3-4,7-9,12-15,19,25,34H,5-6,10-11,16H2,1-2H3,(H,36,39)/t25-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473406
PNG
(US10844044, Example 327)
Show SMILES COc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccsc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H25F4N5O2S/c1-35-14-20(24(34-35)27(29,30)31)18-9-15(13-36-7-8-39-26(36)32)10-19(11-18)25(37)33-23(16-3-4-16)17-5-6-21(28)22(12-17)38-2/h5-12,14,16,23,32H,3-4,13H2,1-2H3,(H,33,37)/t23-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473434
PNG
(US10844044, Example 242)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1OC(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H25F4N3O3/c1-16-10-19(4-7-24(16)31)26(18-2-3-18)35-27(37)21-12-17(15-36-8-9-38-29(36)34)11-20(13-21)23-6-5-22(30)14-25(23)39-28(32)33/h4-14,18,26,28,34H,2-3,15H2,1H3,(H,35,37)/t26-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473435
PNG
(US10844044, Example 335)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCCC2=N)cc(c1)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C30H28F5N3O/c1-17-11-20(6-9-26(17)32)28(19-4-5-19)37-29(39)22-13-18(16-38-10-2-3-27(38)36)12-21(14-22)24-8-7-23(31)15-25(24)30(33,34)35/h6-9,11-15,19,28,36H,2-5,10,16H2,1H3,(H,37,39)/t28-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM473439
PNG
(US10844044, Example 336)
Show SMILES CC(C)n1cc(c(n1)C(F)(F)F)-c1cc(CN2CCCC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C30H33F4N5O/c1-17(2)39-16-24(28(37-39)30(32,33)34)22-12-19(15-38-10-4-5-26(38)35)13-23(14-22)29(40)36-27(20-6-7-20)21-8-9-25(31)18(3)11-21/h8-9,11-14,16-17,20,27,35H,4-7,10,15H2,1-3H3,(H,36,40)/t27-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...

US Patent US10844044 (2020)


BindingDB Entry DOI: 10.7270/Q21R6TKB
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%