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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50042590   
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))
BDBM50428255
PNG
(CHEMBL1231559)
Show SMILES OC(=O)c1ccc2ccccc2c1-c1c(ccc2ccccc12)C(O)=O |(-4.26,1.44,;-3.56,.84,;-3.56,-.7,;-1.59,1.44,;-1.59,2.98,;-.26,3.75,;1.07,2.98,;2.41,3.75,;3.74,2.98,;3.74,1.44,;2.41,.67,;1.07,1.44,;-.26,.67,;-.26,-.87,;-1.59,-1.64,;-1.59,-3.18,;-.26,-3.95,;1.07,-3.18,;2.41,-3.95,;3.74,-3.18,;3.74,-1.64,;2.41,-.87,;1.07,-1.64,;-2.93,-.87,;-4.26,-1.64,;-2.93,.67,)|
Show InChI InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at WDR5 (unknown origin)


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428274
PNG
(CHEMBL2337029)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C18H18ClFN4O3/c1-22-6-8-23(9-7-22)17-5-3-13(24(26)27)11-16(17)21-18(25)14-4-2-12(20)10-15(14)19/h2-5,10-11H,6-9H2,1H3,(H,21,25)
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n/an/an/a 630n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428237
PNG
(CHEMBL2337450)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C18H20N4O4/c1-20-7-9-21(10-8-20)17-6-5-14(22(25)26)12-16(17)19-18(24)13-3-2-4-15(23)11-13/h2-6,11-12,23H,7-10H2,1H3,(H,19,24)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428238
PNG
(CHEMBL2337449)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(C)c1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O3/c1-13-4-3-5-15(18(13)20)19(25)21-16-12-14(24(26)27)6-7-17(16)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H,21,25)
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n/an/an/a 1.10E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428239
PNG
(CHEMBL2337448)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N4O3/c1-14-4-3-5-15(12-14)19(24)20-17-13-16(23(25)26)6-7-18(17)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
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n/an/an/a 1.10E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428240
PNG
(CHEMBL2337447)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C18H19ClN4O3/c1-21-7-9-22(10-8-21)17-6-5-15(23(25)26)12-16(17)20-18(24)13-3-2-4-14(19)11-13/h2-6,11-12H,7-10H2,1H3,(H,20,24)
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n/an/an/a 1.80E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428241
PNG
(CHEMBL2337446)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C13H18N4O3/c1-10(18)14-12-9-11(17(19)20)3-4-13(12)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3,(H,14,18)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428242
PNG
(CHEMBL2337445)
Show SMILES CN(C)CCN(C)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C18H21ClN4O3/c1-21(2)10-11-22(3)17-9-8-13(23(25)26)12-16(17)20-18(24)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3,(H,20,24)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428243
PNG
(CHEMBL2337444)
Show SMILES NC1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C18H19ClN4O3/c19-15-4-2-1-3-14(15)18(24)21-16-11-13(23(25)26)5-6-17(16)22-9-7-12(20)8-10-22/h1-6,11-12H,7-10,20H2,(H,21,24)
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n/an/an/a>2.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428244
PNG
(CHEMBL2337443)
Show SMILES NC1CCN(C1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C17H17ClN4O3/c18-14-4-2-1-3-13(14)17(23)20-15-9-12(22(24)25)5-6-16(15)21-8-7-11(19)10-21/h1-6,9,11H,7-8,10,19H2,(H,20,23)
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n/an/an/a>2.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428245
PNG
(CHEMBL2337442)
Show SMILES [O-][N+](=O)c1ccc(N2CCNCC2)c(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H17ClN4O3/c18-14-4-2-1-3-13(14)17(23)20-15-11-12(22(24)25)5-6-16(15)21-9-7-19-8-10-21/h1-6,11,19H,7-10H2,(H,20,23)
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n/an/an/a>2.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428246
PNG
(CHEMBL2337441)
Show SMILES CN(C)C1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C20H23ClN4O3/c1-23(2)14-9-11-24(12-10-14)19-8-7-15(25(27)28)13-18(19)22-20(26)16-5-3-4-6-17(16)21/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)
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n/an/an/a>2.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428247
PNG
(CHEMBL2337039)
Show SMILES CN(C)C1CCN(C1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O3/c1-22(2)14-9-10-23(12-14)18-8-7-13(24(26)27)11-17(18)21-19(25)15-5-3-4-6-16(15)20/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,25)
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n/an/an/a 1.58E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428248
PNG
(CHEMBL2337038)
Show SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O3/c1-2-22-9-11-23(12-10-22)18-8-7-14(24(26)27)13-17(18)21-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12H2,1H3,(H,21,25)
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n/an/an/a>2.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428249
PNG
(CHEMBL2337037)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H18ClN3O3/c19-15-7-3-2-6-14(15)18(23)20-16-12-13(22(24)25)8-9-17(16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,23)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428250
PNG
(CHEMBL2337036)
Show SMILES [O-][N+](=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H16ClN3O4/c18-14-4-2-1-3-13(14)17(22)19-15-11-12(21(23)24)5-6-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428251
PNG
(CHEMBL2337035)
Show SMILES CN1CCCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O3/c1-22-9-4-10-23(12-11-22)18-8-7-14(24(26)27)13-17(18)21-19(25)15-5-2-3-6-16(15)20/h2-3,5-8,13H,4,9-12H2,1H3,(H,21,25)
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n/an/an/a 7.00E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428252
PNG
(CHEMBL2337034)
Show SMILES CC1CN(CCN1C)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O3/c1-13-12-23(10-9-22(13)2)18-8-7-14(24(26)27)11-17(18)21-19(25)15-5-3-4-6-16(15)20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,25)
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n/an/an/a 4.70E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428253
PNG
(CHEMBL2337033)
Show SMILES [O-][N+](=O)c1ccc(F)c(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C13H8ClFN2O3/c14-10-4-2-1-3-9(10)13(18)16-12-7-8(17(19)20)5-6-11(12)15/h1-7H,(H,16,18)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428254
PNG
(CHEMBL1609857)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-6-13(23(25)26)12-16(17)20-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,24)
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n/an/an/a 6.90E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428254
PNG
(CHEMBL1609857)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-6-13(23(25)26)12-16(17)20-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,24)
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n/an/an/a 7.00E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of MLL-WIN N-terminal FITC-tagged GSARAEVHLRKS peptide from human WDR5 (1-334) by fluorescence polarization assay


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428256
PNG
(CHEMBL2337027)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)-c1ccncc1
Show InChI InChI=1S/C23H23ClN4O/c1-27-12-14-28(15-13-27)22-7-6-18(17-8-10-25-11-9-17)16-21(22)26-23(29)19-4-2-3-5-20(19)24/h2-11,16H,12-15H2,1H3,(H,26,29)
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n/an/an/a 2.20E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428257
PNG
(CHEMBL2337026)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)-c1ccco1
Show InChI InChI=1S/C22H22ClN3O2/c1-25-10-12-26(13-11-25)20-9-8-16(21-7-4-14-28-21)15-19(20)24-22(27)17-5-2-3-6-18(17)23/h2-9,14-15H,10-13H2,1H3,(H,24,27)
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n/an/an/a 3.50E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428258
PNG
(CHEMBL2337025)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)C1CC1
Show InChI InChI=1S/C21H24ClN3O/c1-24-10-12-25(13-11-24)20-9-8-16(15-6-7-15)14-19(20)23-21(26)17-4-2-3-5-18(17)22/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,23,26)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428259
PNG
(CHEMBL2331612)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C19H20ClN3O3/c1-22-8-10-23(11-9-22)17-7-6-13(19(25)26)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)(H,25,26)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428260
PNG
(CHEMBL2337024)
Show SMILES CN1CCN(CC1)c1ccc(N)cc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)17-7-6-13(20)12-16(17)21-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11,20H2,1H3,(H,21,24)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428261
PNG
(CHEMBL2337023)
Show SMILES CN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H19BrClN3O/c1-22-8-10-23(11-9-22)17-7-6-13(19)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428262
PNG
(CHEMBL2337022)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O/c1-25-8-10-26(11-9-25)17-7-6-13(19(21,22)23)12-16(17)24-18(27)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,24,27)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428263
PNG
(CHEMBL2337021)
Show SMILES COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H22ClN3O3/c1-23-9-11-24(12-10-23)18-8-7-14(20(26)27-2)13-17(18)22-19(25)15-5-3-4-6-16(15)21/h3-8,13H,9-12H2,1-2H3,(H,22,25)
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n/an/an/a 6.60E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428264
PNG
(CHEMBL1559278)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccco1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N4O4/c1-18-6-8-19(9-7-18)14-5-4-12(20(22)23)11-13(14)17-16(21)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3,(H,17,21)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428265
PNG
(CHEMBL2337020)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccnc1)[N+]([O-])=O
Show InChI InChI=1S/C17H19N5O3/c1-20-7-9-21(10-8-20)16-5-4-14(22(24)25)11-15(16)19-17(23)13-3-2-6-18-12-13/h2-6,11-12H,7-10H2,1H3,(H,19,23)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428266
PNG
(CHEMBL2337019)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)Cc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N4O3/c1-21-9-11-22(12-10-21)18-8-7-16(23(25)26)14-17(18)20-19(24)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,20,24)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428267
PNG
(CHEMBL2337018)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ncccc12)[N+]([O-])=O
Show InChI InChI=1S/C21H21N5O3/c1-24-10-12-25(13-11-24)20-8-7-15(26(28)29)14-19(20)23-21(27)17-4-2-6-18-16(17)5-3-9-22-18/h2-9,14H,10-13H2,1H3,(H,23,27)
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n/an/an/a 1.50E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428268
PNG
(CHEMBL2337017)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O3/c1-24-11-13-25(14-12-24)21-10-9-17(26(28)29)15-20(21)23-22(27)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,15H,11-14H2,1H3,(H,23,27)
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n/an/an/a 710n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428269
PNG
(CHEMBL2337016)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)C1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C18H26N4O3/c1-20-9-11-21(12-10-20)17-8-7-15(22(24)25)13-16(17)19-18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,23)
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n/an/an/a>1.00E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428270
PNG
(CHEMBL1407785)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C18H20N4O3/c1-20-9-11-21(12-10-20)17-8-7-15(22(24)25)13-16(17)19-18(23)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,19,23)
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n/an/an/a 5.80E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428271
PNG
(CHEMBL2337032)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H20ClFN4O3/c1-12-15(21)5-4-14(18(12)20)19(26)22-16-11-13(25(27)28)3-6-17(16)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,26)
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n/an/an/a 270n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428272
PNG
(CHEMBL2337031)
Show SMILES COc1cc(ccc1F)C(=O)Nc1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O
Show InChI InChI=1S/C19H21FN4O4/c1-22-7-9-23(10-8-22)17-6-4-14(24(26)27)12-16(17)21-19(25)13-3-5-15(20)18(11-13)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
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n/an/an/a 680n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428273
PNG
(CHEMBL2337030)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H21FN4O3/c1-13-11-14(3-5-16(13)20)19(25)21-17-12-15(24(26)27)4-6-18(17)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
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n/an/an/a 590n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428235
PNG
(CHEMBL2337028)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H19FN4O3/c1-21-8-10-22(11-9-21)17-7-6-15(23(25)26)12-16(17)20-18(24)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,24)
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antibodypedia
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UniChem

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Article
PubMed
n/an/an/a 3.10E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50428236
PNG
(CHEMBL1457864)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)18-7-6-15(23(25)26)13-17(18)20-19(24)14-4-3-5-16(12-14)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by ...


ACS Med Chem Lett 4: 353-7 (2013)


Article DOI: 10.1021/ml300467n
BindingDB Entry DOI: 10.7270/Q2C53N6F
More data for this
Ligand-Target Pair