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Compile Data Set for Download or QSAR

Found 1271 hits with Last Name = 'gogliotti' and Initial = 'rd'   
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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Article
PubMed
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))
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))
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))
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))
BDBM473204
PNG
(US10844044, Example 186)
Show SMILES Cn1ccn(Cc2cc(C(=O)NC3(CCC3)c3cccc(Br)c3)c(F)c(c2)-c2ccc(F)cc2C(F)(F)F)c1=N
Show InChI InChI=1S/C29H24BrF5N4O/c1-38-10-11-39(27(38)36)16-17-12-22(21-7-6-20(31)15-24(21)29(33,34)35)25(32)23(13-17)26(40)37-28(8-3-9-28)18-4-2-5-19(30)14-18/h2,4-7,10-15,36H,3,8-9,16H2,1H3,(H,37,40)
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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))
BDBM473208
PNG
(US10844044, Example 187)
Show SMILES Cn1ccn(Cc2cc(cc(c2)-c2ncc(F)cc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(Cl)c(Cl)c2)c1=N |r|
Show InChI InChI=1S/C28H23Cl2F4N5O/c1-38-6-7-39(27(38)35)14-15-8-18(25-21(28(32,33)34)12-20(31)13-36-25)10-19(9-15)26(40)37-24(16-2-3-16)17-4-5-22(29)23(30)11-17/h4-13,16,24,35H,2-3,14H2,1H3,(H,37,40)/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))
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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<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))
BDBM473213
PNG
(US10844044, Example 280)
Show SMILES CCn1cc(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/C27H24Cl2F3N5O2/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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<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))
BDBM473216
PNG
(US10844044, Example 189)
Show SMILES Cn1ccn(Cc2cc(cc(c2)-c2cccnc2C(F)(F)F)C(=O)N[C@@H](C2CC2)c2ccc(F)c(F)c2)c1=N |r|
Show InChI InChI=1S/C28H24F5N5O/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)18-6-7-22(29)23(30)14-18/h2-3,6-14,17,24,34H,4-5,15H2,1H3,(H,36,39)/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))
BDBM473217
PNG
(US10844044, Example 281)
Show SMILES CCn1cc(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/C27H26Cl2F3N5O2/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/h5-6,9-12,14,16,23,33H,2-4,7-8,13H2,1H3,(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))
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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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))
BDBM473547
PNG
(US10844044, Example 363)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2cnn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C27H27F4N7O/c1-15-8-18(6-7-22(15)28)23(17-4-5-17)34-25(39)20-10-16(12-38-14-33-37(3)26(38)32)9-19(11-20)21-13-36(2)35-24(21)27(29,30)31/h6-11,13-14,17,23,32H,4-5,12H2,1-3H3,(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))
BDBM473550
PNG
(US10844044, Example 272)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1)-c1ccc(F)cc1C(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H27F4N3O2/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/h4-7,10-14,18,26-27,34H,2-3,8-9,15H2,1H3,(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))
BDBM473554
PNG
(US10844044, Example 273)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1)-c1ccc(F)cc1OC(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H27F4N3O3/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/h4-7,10-14,18,26,28,34H,2-3,8-9,15H2,1H3,(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))
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))
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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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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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))
BDBM473194
PNG
(US10844044, Example 2)
Show SMILES COc1ncc(C)cc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NC(C1CC1)c1cc(C)ccn1
Show InChI InChI=1S/C29H32N6O2/c1-18-7-8-31-25(12-18)26(21-5-6-21)33-27(36)23-14-20(17-35-10-9-34(3)29(35)30)13-22(15-23)24-11-19(2)16-32-28(24)37-4/h7-16,21,26,30H,5-6,17H2,1-4H3,(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))
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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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

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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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))
BDBM473299
PNG
(US10844044, Example 301)
Show SMILES Fc1ccc(c(Cl)c1)-c1cc(CN2CCOC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C27H23Cl2F2N3O2/c28-22-6-3-17(12-24(22)31)25(16-1-2-16)33-26(35)19-10-15(14-34-7-8-36-27(34)32)9-18(11-19)21-5-4-20(30)13-23(21)29/h3-6,9-13,16,25,32H,1-2,7-8,14H2,(H,33,35)/t25-/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))
BDBM473302
PNG
(US10844044, Example 210)
Show SMILES CCOc1c(cc(Cn2ccn(C)c2=N)cc1-c1cn(C)nc1C(F)(F)F)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C30H32F4N6O2/c1-5-42-26-21(23-16-39(4)37-27(23)30(32,33)34)13-18(15-40-11-10-38(3)29(40)35)14-22(26)28(41)36-25(19-6-7-19)20-8-9-24(31)17(2)12-20/h8-14,16,19,25,35H,5-7,15H2,1-4H3,(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))
BDBM473303
PNG
(US10844044, Example 302)
Show SMILES CCOc1c(cc(CN2CCOC2=N)cc1-c1cn(C)nc1C(F)(F)F)C(=O)N[C@@H](C)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C27H29F4N5O3/c1-5-38-23-19(21-14-35(4)34-24(21)27(29,30)31)11-17(13-36-8-9-39-26(36)32)12-20(23)25(37)33-16(3)18-6-7-22(28)15(2)10-18/h6-7,10-12,14,16,32H,5,8-9,13H2,1-4H3,(H,33,37)/t16-/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))
BDBM473305
PNG
(US10844044, Example 120)
Show SMILES Cc1ccnc(c1)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1F)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H26F5N5O/c1-16-7-8-36-24(11-16)26(18-3-4-18)37-27(40)22-13-17(15-39-10-9-38(2)28(39)35)12-21(25(22)31)20-6-5-19(30)14-23(20)29(32,33)34/h5-14,18,26,35H,3-4,15H2,1-2H3,(H,37,40)/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))
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))
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))
BDBM473308
PNG
(US10844044, Example 30)
Show SMILES C[C@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1C)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C28H28F2N4O/c1-17-12-24(29)6-7-25(17)22-13-20(16-34-10-9-33(4)28(34)31)14-23(15-22)27(35)32-19(3)21-5-8-26(30)18(2)11-21/h5-15,19,31H,16H2,1-4H3,(H,32,35)/t19-/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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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

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))
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))
BDBM468816
PNG
(US10807959, Example 86)
Show SMILES COc1ncc(Cl)cc1-c1cc(CNC2=NCCN2)cc(n1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:15|
Show InChI InChI=1S/C23H21Cl3N6O2/c1-34-22-16(9-15(24)12-30-22)19-7-14(11-31-23-27-4-5-28-23)8-20(32-19)21(33)29-10-13-2-3-17(25)18(26)6-13/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,29,33)(H2,27,28,31)
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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))
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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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))
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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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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