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Compile Data Set for Download or QSAR

Found 1144 hits of kd data for polymerid = 8469   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50520138
PNG
(CHEMBL4463776)
Show SMILES Cc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)ccc1F
Show InChI InChI=1S/C29H28F2N4O/c1-18-13-22(30)5-6-23(18)25-14-21(17-35-11-10-33(3)29(35)32)15-26-24(25)8-9-34(28(26)36)16-20-4-7-27(31)19(2)12-20/h4-7,10-15,32H,8-9,16-17H2,1-3H3
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n/an/an/a<0.0200n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520131
PNG
(CHEMBL4588661)
Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3
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n/an/an/a<0.0200n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520141
PNG
(CHEMBL4462065)
Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccoc4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C29H28FN3O4/c1-18-10-21(30)4-5-24(18)26-13-20(17-33-8-9-37-29(33)31)14-27-25(26)6-7-32(28(27)34)16-19-11-22(35-2)15-23(12-19)36-3/h4-5,8-15,31H,6-7,16-17H2,1-3H3
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n/an/an/a<0.0200n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520135
PNG
(CHEMBL4463486)
Show SMILES COc1cc(CN2CCc3c(cc(Cn4cnn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C29H30FN5O3/c1-18-9-21(30)5-6-24(18)26-12-20(16-35-17-32-33(2)29(35)31)13-27-25(26)7-8-34(28(27)36)15-19-10-22(37-3)14-23(11-19)38-4/h5-6,9-14,17,31H,7-8,15-16H2,1-4H3
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n/an/an/a 0.0230n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520120
PNG
(CHEMBL4476662)
Show SMILES Cc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)ccc1Cl
Show InChI InChI=1S/C29H28ClFN4O/c1-18-13-22(31)5-6-23(18)25-14-21(17-35-11-10-33(3)29(35)32)15-26-24(25)8-9-34(28(26)36)16-20-4-7-27(30)19(2)12-20/h4-7,10-15,32H,8-9,16-17H2,1-3H3
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n/an/an/a 0.0270n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520126
PNG
(CHEMBL4557848)
Show SMILES Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H23Cl2FN4O/c1-16-9-21(29)4-5-22(16)19-10-18(15-33-8-7-32(2)26(33)30)11-20(13-19)25(34)31-14-17-3-6-23(27)24(28)12-17/h3-13,30H,14-15H2,1-2H3,(H,31,34)
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n/an/an/a 0.0300n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520139
PNG
(CHEMBL4534270)
Show SMILES COc1cc(CN2CCc3c(cc(CNC(=N)C4CC4)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C30H32FN3O3/c1-18-10-22(31)6-7-25(18)27-13-19(16-33-29(32)21-4-5-21)14-28-26(27)8-9-34(30(28)35)17-20-11-23(36-2)15-24(12-20)37-3/h6-7,10-15,21H,4-5,8-9,16-17H2,1-3H3,(H2,32,33)
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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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520127
PNG
(CHEMBL4585441 | US10844044, Example 87)
Show SMILES Cc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C)ccc1F
Show InChI InChI=1S/C27H26F2N4O/c1-17-11-23(28)5-6-24(17)21-12-20(16-33-9-8-32(3)27(33)30)13-22(14-21)26(34)31-15-19-4-7-25(29)18(2)10-19/h4-14,30H,15-16H2,1-3H3,(H,31,34)
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n/an/an/a 0.0320n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520133
PNG
(CHEMBL4530969)
Show SMILES COc1cc(CN2CCc3c(cc(CN4CCSC4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C29H30FN3O3S/c1-18-10-21(30)4-5-24(18)26-13-20(17-33-8-9-37-29(33)31)14-27-25(26)6-7-32(28(27)34)16-19-11-22(35-2)15-23(12-19)36-3/h4-5,10-15,31H,6-9,16-17H2,1-3H3
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n/an/an/a 0.0330n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520137
PNG
(CHEMBL4439051)
Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C)ccc1F
Show InChI InChI=1S/C27H26F2N4O2/c1-17-10-22(28)5-6-23(17)20-11-19(16-33-9-8-32(2)27(33)30)12-21(14-20)26(34)31-15-18-4-7-24(29)25(13-18)35-3/h4-14,30H,15-16H2,1-3H3,(H,31,34)
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n/an/an/a 0.0350n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520132
PNG
(CHEMBL4453355)
Show SMILES COc1cc(CN2CCc3c(cc(Cn4ccn(C5CC5)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C32H33FN4O3/c1-20-12-23(33)4-7-27(20)29-15-22(19-36-10-11-37(32(36)34)24-5-6-24)16-30-28(29)8-9-35(31(30)38)18-21-13-25(39-2)17-26(14-21)40-3/h4,7,10-17,24,34H,5-6,8-9,18-19H2,1-3H3
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n/an/an/a 0.0430n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520130
PNG
(CHEMBL4435250)
Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C)cc(OC)c1
Show InChI InChI=1S/C28H29FN4O3/c1-18-9-23(29)5-6-26(18)21-10-20(17-33-8-7-32(2)28(33)30)11-22(14-21)27(34)31-16-19-12-24(35-3)15-25(13-19)36-4/h5-15,30H,16-17H2,1-4H3,(H,31,34)
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n/an/an/a 0.0490n/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))
BDBM50520128
PNG
(CHEMBL4555492)
Show SMILES Cc1cc(C)cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C)c1
Show InChI InChI=1S/C28H29FN4O/c1-18-9-19(2)11-21(10-18)16-31-27(34)24-14-22(17-33-8-7-32(4)28(33)30)13-23(15-24)26-6-5-25(29)12-20(26)3/h5-15,30H,16-17H2,1-4H3,(H,31,34)
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n/an/an/a 0.0550n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552952
PNG
(N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Show SMILES C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|
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n/an/an/a 0.0600n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00037
BindingDB Entry DOI: 10.7270/Q2B85D61
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552952
PNG
(N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Show SMILES C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|
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TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520129
PNG
(CHEMBL4593719)
Show SMILES Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H23Cl2FN4O/c1-16-7-23(29)3-4-24(16)19-8-18(15-33-6-5-32(2)26(33)30)9-20(12-19)25(34)31-14-17-10-21(27)13-22(28)11-17/h3-13,30H,14-15H2,1-2H3,(H,31,34)
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n/an/an/a 0.0610n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520134
PNG
(CHEMBL4556167)
Show SMILES COc1cc(CN2CCc3c(cc(CN4CCCC4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Show InChI InChI=1S/C30H32FN3O3/c1-19-11-22(31)6-7-25(19)27-14-21(17-33-9-4-5-29(33)32)15-28-26(27)8-10-34(30(28)35)18-20-12-23(36-2)16-24(13-20)37-3/h6-7,11-16,32H,4-5,8-10,17-18H2,1-3H3
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n/an/an/a 0.0630n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520140
PNG
(CHEMBL4474045)
Show SMILES Cc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C)ccc1Cl
Show InChI InChI=1S/C27H26ClFN4O/c1-17-11-23(29)5-6-24(17)21-12-20(16-33-9-8-32(3)27(33)30)13-22(14-21)26(34)31-15-19-4-7-25(28)18(2)10-19/h4-14,30H,15-16H2,1-3H3,(H,31,34)
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n/an/an/a 0.0900n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553268
PNG
(N-[4-fluoro-5-(1-pyrimidin-2- yl-3,6-dihydro-2H-py...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCCN(C1)c1ncccn1 |r,t:33|
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n/an/an/a 0.0950n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553331
PNG
(N-[5-[1-[5-[(dimethylamino) methyl]pyrimidin-2-yl]...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCN(CC1)c1ncc(CN(C)C)cn1 |r,t:33|
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US Patent
n/an/an/a 0.0950n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552984
PNG
(4-(difluoromethyl)-N-[4- fluoro-5-(2-morpholin-4- ...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)F)-c1cnc(nc1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/an/a 0.100n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553342
PNG
(N-[4-fluoro-5-[1-[5-[(4- methylpiperazin-1- yl)met...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCCN(C1)c1ncc(CN2CCN(C)CC2)cn1 |r,t:33|
PDB

UniProtKB/SwissProt

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n/an/an/a 0.108n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520125
PNG
(CHEMBL4578661)
Show SMILES Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClFN4O/c1-17-10-23(28)6-7-24(17)20-11-19(16-32-9-8-31(2)26(32)29)12-21(14-20)25(33)30-15-18-4-3-5-22(27)13-18/h3-14,29H,15-16H2,1-2H3,(H,30,33)
PDB

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Article
PubMed
n/an/an/a 0.140n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553321
PNG
(4-(difluoromethyl)-N-[4- fluoro-5-[2-[rac-(2R,6S)-...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(cn1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)F)c(cc1F)N1CCN(C)[C@@H](C)C1 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/a 0.152n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50520136
PNG
(CHEMBL4436638)
Show SMILES COc1cccc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C)c1
Show InChI InChI=1S/C27H27FN4O2/c1-18-11-23(28)7-8-25(18)21-12-20(17-32-10-9-31(2)27(32)29)13-22(15-21)26(33)30-16-19-5-4-6-24(14-19)34-3/h4-15,29H,16-17H2,1-3H3,(H,30,33)
PDB

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n/an/an/a 0.160n/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
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553053
PNG
(N-[5-[2-(dimethylamino) pyrimidin-5-yl]-4-fluoro-2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N(C)C |r|
PDB

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US Patent
n/an/an/a 0.168n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553013
PNG
(N-[5-(6-acetamidopyridin- 3-yl)-4-fluoro-2-[rac-(3...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(NC(C)=O)nc1 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.199n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552987
PNG
(N-[2-[(3R)-3- (dimethylamino)pyrrolidin- 1-yl]-4-f...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.200n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553019
PNG
(N-[5-(3,4-dihydro-2H- 1,5-benzodioxepin-7-yl)- 4-f...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc2OCCCOc2c1 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.225n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553335
PNG
(N-[4-fluoro-5-[1-(5- formylpyrimidin-2-yl)-3,6- di...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCCN(C1)c1ncc(C=O)cn1 |r,t:33|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.229n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553117
PNG
(N-[4-fluoro-5-[1-[[4-(4- methylpiperazin-1- yl)phe...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCN(Cc2ccc(cc2)N2CCN(C)CC2)CC1 |r,t:33|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.230n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553333
PNG
(N-[4-fluoro-5-[1-[5-[(4- methylpiperazin-1-yl)meth...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCN(CC1)c1ncc(CN2CCN(C)CC2)cn1 |r,t:33|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.231n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553147
PNG
(N-[5-(6- acetamidopyridin-3-yl)-4- fluoro-2-[rac-(...)
Show SMILES C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(NC(C)=O)nc1 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.240n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553288
PNG
(N-[4-fluoro-5-[2-[methyl- [rac-(3R)-oxolan-3- yl]a...)
Show SMILES C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N(C)[C@H]1CCOC1 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/a 0.244n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553291
PNG
(N-[4-fluoro-5-[1-(6- methoxypyrimidin-4-yl)- 3,6-d...)
Show SMILES COc1cc(ncn1)N1CCC=C(C1)c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r,c:12|
PDB

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n/an/an/a 0.246n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553516
PNG
(US11319299, Example 601 | propan-2-yl 5-[2-fluoro-...)
Show SMILES CC(C)OC(=O)N1CCC=C(C1)c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r,c:9|
PDB

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n/an/an/a 0.271n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553573
PNG
(4-fluoro-N-[4-fluoro-2- [rac-(3R)-3,4- dimethylpip...)
Show SMILES C[C@H]1CN(CCO1)c1nccc(n1)-c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(cc1F)N1CCN(C)[C@@H](C)C1 |r|
PDB

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n/an/an/a 0.290n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553648
PNG
(4-fluoro-N-[4-fluoro-2- [rac-(3R)-3,4- dimethylpip...)
Show SMILES C[C@H]1COCCN1c1ncc(cn1)-c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(cc1F)N1CCN(C)[C@@H](C)C1 |r|
PDB

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n/an/an/a 0.290n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553355
PNG
(4-fluoro-N-[4-fluoro-5-[2-[rac- (2R,6S)-2,6-dimeth...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(cn1)-c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(cc1F)N1CCN(C)[C@@H](C)C1 |r|
PDB

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US Patent
n/an/an/a 0.296n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552953
PNG
(N-[4-fluoro-5-(2- morpholin-4-ylpyrimidin- 5-yl)-2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|
PDB

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n/an/an/a 0.300n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552989
PNG
(N-[5-[6- (cyclopropylmethoxy) pyridin-3-yl]-4-fluo...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(OCC2CC2)nc1 |r|
PDB

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n/an/an/a 0.300n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553339
PNG
(N-[4-fluoro-5-[1-[5- (hydroxymethyl)pyrimidin-2-yl...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCCN(C1)c1ncc(CO)cn1 |r,t:33|
PDB

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n/an/an/a 0.302n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553307
PNG
(4-fluoro-N-[4-fluoro-2- [rac-(3R,5S)-3,4,5- trimet...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1ncc(cn1)-c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r|
PDB

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n/an/an/a 0.310n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553051
PNG
(N-[4-fluoro-5-[6-(oxan-4- yloxy)pyridin-3-yl]-2- [...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(OC2CCOCC2)nc1 |r|
PDB

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n/an/an/a 0.320n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM552953
PNG
(N-[4-fluoro-5-(2- morpholin-4-ylpyrimidin- 5-yl)-2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|
PDB

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n/an/an/a 0.323n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553034
PNG
(N-[4-fluoro-5-[6-(2- methoxyethoxy)pyridin- 3-yl]-...)
Show SMILES COCCOc1ccc(cn1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1C[C@H](C)N(C)[C@H](C)C1 |r|
PDB

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n/an/an/a 0.338n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553109
PNG
(N-[4-fluoro-5-(2- piperazin-1-ylpyrimidin- 5-yl)-2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCNCC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.345n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553530
PNG
(N-[5-[1-(5-cyano-1,3- thiazol-2-yl)-3,6-dihydro- 2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCCN(C1)c1ncc(s1)C#N |r,t:33|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.375n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553033
PNG
(N-[4-fluoro-5-(2- morpholin-4-ylpyridin-4- yl)-2-[...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccnc(c1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.391n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM553384
PNG
(N-[4-fluoro-5-[1-[5-[(4- methylpiperazin-1- yl)met...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCN(C1)c1ncc(CN2CCN(C)CC2)cn1 |r,t:33|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.392n/an/an/an/an/a


TBA

Assay Description
Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6GD6
More data for this
Ligand-Target Pair
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