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Compile Data Set for Download or QSAR

Found 2440 hits with Last Name = 'macdonald' and Initial = 'd'   
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))
BDBM468736
PNG
(US10807959, Example 5)
Show SMILES Cc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2ccc(F)nc2C)ccc1Cl |t:13|
Show InChI InChI=1S/C25H25ClFN5O/c1-15-9-17(3-5-22(15)26)13-30-24(33)20-11-18(14-31-25-28-7-8-29-25)10-19(12-20)21-4-6-23(27)32-16(21)2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,30,33)(H2,28,29,31)
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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 US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468925
PNG
(US10807959, Example B64)
Show SMILES Cc1nc(F)ccc1-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:14|
Show InChI InChI=1S/C24H22Cl2FN5O/c1-14-19(3-5-22(27)32-14)17-8-16(13-31-24-28-6-7-29-24)9-18(11-17)23(33)30-12-15-2-4-20(25)21(26)10-15/h2-5,8-11H,6-7,12-13H2,1H3,(H,30,33)(H2,28,29,31)
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0.0210n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468927
PNG
(US10807959, Example B74)
Show SMILES Cc1cc(ccn1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:13|
Show InChI InChI=1S/C24H23Cl2N5O/c1-15-8-18(4-5-27-15)19-9-17(14-31-24-28-6-7-29-24)10-20(12-19)23(32)30-13-16-2-3-21(25)22(26)11-16/h2-5,8-12H,6-7,13-14H2,1H3,(H,30,32)(H2,28,29,31)
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0.0310n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468928
PNG
(US10807959, Example B81)
Show SMILES Cc1cc(ccn1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1cc(Cl)cc(Cl)c1 |t:13|
Show InChI InChI=1S/C24H23Cl2N5O/c1-15-6-18(2-3-27-15)19-7-16(14-31-24-28-4-5-29-24)8-20(11-19)23(32)30-13-17-9-21(25)12-22(26)10-17/h2-3,6-12H,4-5,13-14H2,1H3,(H,30,32)(H2,28,29,31)
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0.0330n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468938
PNG
(US10807959, Example B109)
Show SMILES COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2cc(C)cnc2F)cc(OC)c1 |t:14|
Show InChI InChI=1S/C26H28FN5O3/c1-16-6-23(24(27)30-13-16)19-7-17(15-32-26-28-4-5-29-26)8-20(11-19)25(33)31-14-18-9-21(34-2)12-22(10-18)35-3/h6-13H,4-5,14-15H2,1-3H3,(H,31,33)(H2,28,29,32)
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0.0380n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
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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0.0440n/an/an/an/an/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold(DE3) cells using 10-mer...


J Med Chem 63: 656-675 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01608
BindingDB Entry DOI: 10.7270/Q2HD801W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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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0.0600n/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))
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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0.0600n/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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0.0600n/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))
BDBM468936
PNG
(US10807959, Example B99)
Show SMILES Cc1cc(cnc1F)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:14|
Show InChI InChI=1S/C24H22Cl2FN5O/c1-14-6-19(13-30-22(14)27)17-7-16(12-32-24-28-4-5-29-24)8-18(10-17)23(33)31-11-15-2-3-20(25)21(26)9-15/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,31,33)(H2,28,29,32)
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0.0870n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468939
PNG
(US10807959, Example B111)
Show SMILES Cc1cc(cc(C)n1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1cc(Cl)ccn1 |t:14|
Show InChI InChI=1S/C24H25ClN6O/c1-15-7-18(8-16(2)31-15)19-9-17(13-30-24-27-5-6-28-24)10-20(11-19)23(32)29-14-22-12-21(25)3-4-26-22/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,29,32)(H2,27,28,30)
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0.0870n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468945
PNG
(US10807959, Example B129)
Show SMILES Cc1cc(CNC(=O)c2cc(CNC3=NCCC3)cc(c2)-c2ccc(F)nc2C)ccc1Cl |t:13|
Show InChI InChI=1S/C26H26ClFN4O/c1-16-10-18(5-7-23(16)27)14-31-26(33)21-12-19(15-30-25-4-3-9-29-25)11-20(13-21)22-6-8-24(28)32-17(22)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,29,30)(H,31,33)
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0.0890n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468937
PNG
(US10807959, Example B107)
Show SMILES COc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2cc(C)cnc2F)cc1OC |t:15|
Show InChI InChI=1S/C26H28FN5O3/c1-16-8-21(24(27)30-13-16)19-9-18(15-32-26-28-6-7-29-26)10-20(12-19)25(33)31-14-17-4-5-22(34-2)23(11-17)35-3/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,31,33)(H2,28,29,32)
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0.0970n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...


US Patent US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM473451
PNG
(US10844044, Example 339)
Show SMILES COc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCCC2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H29F4N5O2/c1-36-15-21(26(35-36)28(30,31)32)19-10-16(14-37-9-3-4-24(37)33)11-20(12-19)27(38)34-25(17-5-6-17)18-7-8-22(29)23(13-18)39-2/h7-8,10-13,15,17,25,33H,3-6,9,14H2,1-2H3,(H,34,38)/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))
BDBM473453
PNG
(US10844044, Example 156)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1ccc(F)cc1OC(F)F)C1CC1 |r|
Show InChI InChI=1S/C32H30F4N4O2/c1-18-12-21(4-9-27(18)34)29(20-2-3-20)38-30(41)23-14-19(17-39-10-11-40(32(39)37)25-6-7-25)13-22(15-23)26-8-5-24(33)16-28(26)42-31(35)36/h4-5,8-16,20,25,29,31,37H,2-3,6-7,17H2,1H3,(H,38,41)/t29-/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))
BDBM473455
PNG
(US10844044, Example 340)
Show SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)c1cc(CN2CCCC2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H25ClF4N4O/c29-22-14-18(7-8-23(22)30)25(17-5-6-17)36-27(38)20-12-16(15-37-10-2-4-24(37)34)11-19(13-20)21-3-1-9-35-26(21)28(31,32)33/h1,3,7-9,11-14,17,25,34H,2,4-6,10,15H2,(H,36,38)/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))
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))
BDBM473461
PNG
(US10844044, Example 158)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1ccc(F)cc1C(F)F)C1CC1 |r|
Show InChI InChI=1S/C32H30F4N4O/c1-18-12-21(4-9-28(18)34)29(20-2-3-20)38-31(41)23-14-19(17-39-10-11-40(32(39)37)25-6-7-25)13-22(15-23)26-8-5-24(33)16-27(26)30(35)36/h4-5,8-16,20,25,29-30,37H,2-3,6-7,17H2,1H3,(H,38,41)/t29-/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))
BDBM473462
PNG
(US10844044, Example 249)
Show SMILES COc1cc(OC)cc(c1)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1Cl)C1CC1 |r|
Show InChI InChI=1S/C29H27ClFN3O4/c1-36-23-12-20(13-24(15-23)37-2)27(18-3-4-18)33-28(35)21-10-17(16-34-7-8-38-29(34)32)9-19(11-21)25-6-5-22(31)14-26(25)30/h5-15,18,27,32H,3-4,16H2,1-2H3,(H,33,35)/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))
BDBM473463
PNG
(US10844044, Example 342)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccccc2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C30H26F4N4O/c1-18-13-21(9-10-25(18)31)27(20-7-8-20)37-29(39)23-15-19(17-38-12-3-2-6-26(38)35)14-22(16-23)24-5-4-11-36-28(24)30(32,33)34/h2-6,9-16,20,27,35H,7-8,17H2,1H3,(H,37,39)/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))
BDBM473465
PNG
(US10844044, Example 159)
Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H27Cl2F3N6O/c1-38-15-22(26(37-38)29(32,33)34)19-10-16(14-39-8-9-40(28(39)35)21-5-6-21)11-20(12-19)27(41)36-25(17-2-3-17)18-4-7-23(30)24(31)13-18/h4,7-13,15,17,21,25,35H,2-3,5-6,14H2,1H3,(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))
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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<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))
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))
BDBM473477
PNG
(US10844044, Example 162)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H29Cl2F3N6O/c1-2-40-16-23(27(38-40)30(33,34)35)20-11-17(15-39-9-10-41(29(39)36)22-6-7-22)12-21(13-20)28(42)37-26(18-3-4-18)19-5-8-24(31)25(32)14-19/h5,8-14,16,18,22,26,36H,2-4,6-7,15H2,1H3,(H,37,42)/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))
BDBM473478
PNG
(US10844044, Example 253)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H26F4N4O2/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/h2-3,6-8,11-14,18,24,33H,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))
BDBM473483
PNG
(US10844044, Example 347)
Show SMILES CCOc1c(cc(Cn2ccccc2=N)cc1-c1cn(C)nc1C(F)(F)F)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C31H31F4N5O2/c1-4-42-28-22(24-17-39(3)38-29(24)31(33,34)35)14-19(16-40-12-6-5-7-26(40)36)15-23(28)30(41)37-27(20-8-9-20)21-10-11-25(32)18(2)13-21/h5-7,10-15,17,20,27,36H,4,8-9,16H2,1-3H3,(H,37,41)/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))
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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<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))
BDBM473338
PNG
(US10844044, Example 219)
Show SMILES CN1CCN(Cc2cc(cc(c2)-c2cccnc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(F)c(Cl)c2)C1=N |r|
Show InChI InChI=1S/C28H26ClF4N5O/c1-37-9-10-38(27(37)34)15-16-11-19(21-3-2-8-35-25(21)28(31,32)33)13-20(12-16)26(39)36-24(17-4-5-17)18-6-7-23(30)22(29)14-18/h2-3,6-8,11-14,17,24,34H,4-5,9-10,15H2,1H3,(H,36,39)/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))
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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<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))
BDBM473343
PNG
(US10844044, Example 312)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(CN2CCSC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C28H29F4N5OS/c1-3-37-15-22(25(35-37)28(30,31)32)20-11-17(14-36-8-9-39-27(36)33)12-21(13-20)26(38)34-24(18-4-5-18)19-6-7-23(29)16(2)10-19/h6-7,10-13,15,18,24,33H,3-5,8-9,14H2,1-2H3,(H,34,38)/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))
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))
BDBM473349
PNG
(US10844044, Example 131)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1F)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H26F5N5O/c1-16-12-19(7-8-23(16)30)25(18-5-6-18)37-27(40)22-14-17(15-39-11-10-38(2)28(39)35)13-21(24(22)31)20-4-3-9-36-26(20)29(32,33)34/h3-4,7-14,18,25,35H,5-6,15H2,1-2H3,(H,37,40)/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))
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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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))
BDBM468835
PNG
(US10807959, Example 105)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(CNC(=N)C2CC2)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C29H31F4N5O/c1-3-38-15-23(26(37-38)29(31,32)33)21-11-17(14-35-27(34)19-6-7-19)12-22(13-21)28(39)36-25(18-4-5-18)20-8-9-24(30)16(2)10-20/h8-13,15,18-19,25H,3-7,14H2,1-2H3,(H2,34,35)(H,36,39)/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 US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM468836
PNG
(US10807959, Example 106)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(CNC(=N)C2CCC2)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C30H33F4N5O/c1-3-39-16-24(27(38-39)30(32,33)34)22-12-18(15-36-28(35)20-5-4-6-20)13-23(14-22)29(40)37-26(19-7-8-19)21-9-10-25(31)17(2)11-21/h9-14,16,19-20,26H,3-8,15H2,1-2H3,(H2,35,36)(H,37,40)/t26-/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 US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM473311
PNG
(US10844044, Example 304)
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/C29H29F4N5O3/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/h7-13,15,18,24,34H,4-6,14H2,1-3H3,(H,35,39)/t24-/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))
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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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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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))
BDBM473318
PNG
(US10844044, Example 214)
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(Cl)c1 |r|
Show InChI InChI=1S/C28H27ClF4N6O/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)18-6-7-23(30)22(29)13-18/h6-13,15,17,24,34H,3-5,14H2,1-2H3,(H,35,40)/t24-/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))
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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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))
BDBM473322
PNG
(US10844044, Example 215)
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/C29H32F4N6O/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/h7-8,11-14,16,19,25,34H,4-6,9-10,15H2,1-3H3,(H,35,40)/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))
BDBM473317
PNG
(US10844044, Example 123 | US10844044, Example 125)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cncnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H26F4N6O/c1-16-9-19(5-6-23(16)29)24(18-3-4-18)36-26(39)21-11-17(14-38-8-7-37(2)27(38)33)10-20(12-21)22-13-34-15-35-25(22)28(30,31)32/h5-13,15,18,24,33H,3-4,14H2,1-2H3,(H,36,39)/t24-/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))
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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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))
BDBM468817
PNG
(US10807959, Example 87)
Show SMILES COc1ccc(C)cc1-c1cc(CNC2=NCCN2)cc(n1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:15|
Show InChI InChI=1S/C25H25Cl2N5O2/c1-15-3-6-23(34-2)18(9-15)21-11-17(14-31-25-28-7-8-29-25)12-22(32-21)24(33)30-13-16-4-5-19(26)20(27)10-16/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,30,33)(H2,28,29,31)
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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 US10807959 (2020)


BindingDB Entry DOI: 10.7270/Q26Q219X
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM473256
PNG
(US10844044, Example 108)
Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2F)-c2ccc(F)cc2C(F)(F)F)cc(OC)c1
Show InChI InChI=1S/C28H25F5N4O3/c1-36-6-7-37(27(36)34)15-17-10-22(21-5-4-18(29)12-24(21)28(31,32)33)25(30)23(11-17)26(38)35-14-16-8-19(39-2)13-20(9-16)40-3/h4-13,34H,14-15H2,1-3H3,(H,35,38)
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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))
BDBM473258
PNG
(US10844044, Example 291)
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/C29H29F4N5O2/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/h6-13,15-16,19,25,34H,4-5,14H2,1-3H3,(H,35,39)/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))
BDBM473260
PNG
(US10844044, Example 109)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1F)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C30H26F6N4O/c1-16-11-19(5-8-25(16)32)27(18-3-4-18)38-28(41)23-13-17(15-40-10-9-39(2)29(40)37)12-22(26(23)33)21-7-6-20(31)14-24(21)30(34,35)36/h5-14,18,27,37H,3-4,15H2,1-2H3,(H,38,41)/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
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