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Compile Data Set for Download or QSAR

Found 2206 hits with Last Name = 'stauffer' and Initial = 'sr'   
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))
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))
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))
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))
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))
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))
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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<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))
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
PDB

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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))
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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<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))
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))
BDBM468762
PNG
(US10807959, Example 31)
Show SMILES Cc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2cnc(F)c(C)c2)ccc1Cl |t:13|
Show InChI InChI=1S/C25H25ClFN5O/c1-15-7-17(3-4-22(15)26)12-31-24(33)20-10-18(13-32-25-28-5-6-29-25)9-19(11-20)21-8-16(2)23(27)30-14-21/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,31,33)(H2,28,29,32)
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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))
BDBM468770
PNG
(US10807959, Example 39)
Show SMILES Cc1ccnc(c1)C(NC(=O)c1cc(CNC2=NCCN2)cc(c1)-c1cc(C)cnc1F)C1CC1 |t:17|
Show InChI InChI=1S/C27H29FN6O/c1-16-5-6-29-23(10-16)24(19-3-4-19)34-26(35)21-12-18(15-33-27-30-7-8-31-27)11-20(13-21)22-9-17(2)14-32-25(22)28/h5-6,9-14,19,24H,3-4,7-8,15H2,1-2H3,(H,34,35)(H2,30,31,33)
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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))
BDBM468772
PNG
(US10807959, Example 41)
Show SMILES Cc1cc(cc(C)n1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(C)c1 |t:14|
Show InChI InChI=1S/C26H28ClN5O/c1-16-8-19(4-5-24(16)27)14-30-25(33)23-12-20(15-31-26-28-6-7-29-26)11-22(13-23)21-9-17(2)32-18(3)10-21/h4-5,8-13H,6-7,14-15H2,1-3H3,(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))
BDBM468773
PNG
(US10807959, Example 42)
Show SMILES Cc1cnc(F)c(c1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(C)c1 |t:14|
Show InChI InChI=1S/C25H25ClFN5O/c1-15-7-21(23(27)30-12-15)19-9-18(14-32-25-28-5-6-29-25)10-20(11-19)24(33)31-13-17-3-4-22(26)16(2)8-17/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,31,33)(H2,28,29,32)
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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))
BDBM473197
PNG
(US10844044, Example 276)
Show SMILES CCn1cc(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/C28H29F4N5O2/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))
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

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))
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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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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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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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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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))
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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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

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))
BDBM473233
PNG
(US10844044, Example 285)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C29H26F5N3O2/c1-16-10-19(4-7-25(16)31)26(18-2-3-18)36-27(38)21-12-17(15-37-8-9-39-28(37)35)11-20(13-21)23-6-5-22(30)14-24(23)29(32,33)34/h4-7,10-14,18,26,35H,2-3,8-9,15H2,1H3,(H,36,38)/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))
BDBM473236
PNG
(US10844044, Example 194)
Show SMILES CC(C)n1cc(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/C32H34F4N6O/c1-18(2)42-17-26(29(39-42)32(34,35)36)23-13-20(16-40-10-11-41(31(40)37)25-7-8-25)14-24(15-23)30(43)38-28(21-4-5-21)22-6-9-27(33)19(3)12-22/h6,9-15,17-18,21,25,28,37H,4-5,7-8,16H2,1-3H3,(H,38,43)/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))
BDBM473237
PNG
(US10844044, Example 286)
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(F)c1 |r|
Show InChI InChI=1S/C28H28F5N5O2/c1-15(2)38-14-21(25(36-38)28(31,32)33)19-9-16(13-37-7-8-40-27(37)34)10-20(11-19)26(39)35-24(17-3-4-17)18-5-6-22(29)23(30)12-18/h5-6,9-12,14-15,17,24,34H,3-4,7-8,13H2,1-2H3,(H,35,39)/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))
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))
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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<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))
BDBM468740
PNG
(US10807959, Example 9)
Show SMILES Cc1ccnc(c1)C(NC(=O)c1cc(CNC2=NCCN2)cc(c1)-c1ccc(F)nc1C)C1CC1 |t:17|
Show InChI InChI=1S/C27H29FN6O/c1-16-7-8-29-23(11-16)25(19-3-4-19)34-26(35)21-13-18(15-32-27-30-9-10-31-27)12-20(14-21)22-5-6-24(28)33-17(22)2/h5-8,11-14,19,25H,3-4,9-10,15H2,1-2H3,(H,34,35)(H2,30,31,32)
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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 US10807959 (2020)


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


(Homo sapiens (Human))
BDBM468743
PNG
(US10807959, Example 12)
Show SMILES Cc1ccncc1-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:13|
Show InChI InChI=1S/C24H23Cl2N5O/c1-15-4-5-27-14-20(15)18-8-17(13-31-24-28-6-7-29-24)9-19(11-18)23(32)30-12-16-2-3-21(25)22(26)10-16/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,30,32)(H2,28,29,31)
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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 US10807959 (2020)


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


(Homo sapiens (Human))
BDBM473285
PNG
(US10844044, Example 115)
Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C3CC3)c2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C31H29F4N5O/c1-18-13-21(6-9-26(18)32)27(20-4-5-20)38-29(41)23-15-19(17-39-11-12-40(30(39)36)24-7-8-24)14-22(16-23)25-3-2-10-37-28(25)31(33,34)35/h2-3,6,9-16,20,24,27,36H,4-5,7-8,17H2,1H3,(H,38,41)/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))
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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<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))
BDBM473290
PNG
(US10844044, Example 207)
Show SMILES COc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C28H28F4N6O2/c1-36-8-9-38(27(36)33)14-16-10-19(21-15-37(2)35-25(21)28(30,31)32)12-20(11-16)26(39)34-24(17-4-5-17)18-6-7-22(29)23(13-18)40-3/h6-13,15,17,24,33H,4-5,14H2,1-3H3,(H,34,39)/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))
BDBM473291
PNG
(US10844044, Example 299)
Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C26H24F4N6O2/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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<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))
BDBM473295
PNG
(US10844044, Example 300)
Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C26H26F4N6O2/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/h7-11,13,16,22,31H,3-6,12H2,1-2H3,(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
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