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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50048213   
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))
BDBM50164787
PNG
(CHEMBL3798088)
Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r|
Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescence-labeled Ac-ARA peptide binding to WDR5 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM200723
PNG
(US9233086, 10L)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM200723
PNG
(US9233086, 10L)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescence-labeled Ac-ARA peptide binding to WDR5 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 7.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 8.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208355
PNG
(CHEMBL3885099)
Show SMILES CC(N)C(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C28H32ClFN6O2/c1-16-25(29)21(15-22(32)26(16)30)28(38)34-23-14-19(6-9-24(23)36-12-10-35(3)11-13-36)18-4-7-20(8-5-18)33-27(37)17(2)31/h4-9,14-15,17H,10-13,31-32H2,1-3H3,(H,33,37)(H,34,38)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208369
PNG
(CHEMBL3884291)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccncc1
Show InChI InChI=1S/C24H25ClFN5O/c1-15-22(25)18(14-19(27)23(15)26)24(32)29-20-13-17(16-5-7-28-8-6-16)3-4-21(20)31-11-9-30(2)10-12-31/h3-8,13-14H,9-12,27H2,1-2H3,(H,29,32)
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n/an/a 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208389
PNG
(CHEMBL3884527)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-17-25(30)21(16-22(32)26(17)31)27(38)35-23-15-19(7-10-24(23)37-13-11-36(4)12-14-37)18-5-8-20(9-6-18)34-28(39)29(2,3)33/h5-10,15-16H,11-14,32-33H2,1-4H3,(H,34,39)(H,35,38)
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n/an/a 30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208395
PNG
(CHEMBL3884136)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccccc1
Show InChI InChI=1S/C25H26ClFN4O/c1-16-23(26)19(15-20(28)24(16)27)25(32)29-21-14-18(17-6-4-3-5-7-17)8-9-22(21)31-12-10-30(2)11-13-31/h3-9,14-15H,10-13,28H2,1-2H3,(H,29,32)
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n/an/a 48n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208392
PNG
(CHEMBL3885308)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCN)cc1
Show InChI InChI=1S/C28H32ClFN6O2/c1-17-26(29)21(16-22(32)27(17)30)28(38)34-23-15-19(5-8-24(23)36-13-11-35(2)12-14-36)18-3-6-20(7-4-18)33-25(37)9-10-31/h3-8,15-16H,9-14,31-32H2,1-2H3,(H,33,37)(H,34,38)
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n/an/a 50n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208393
PNG
(CHEMBL3885025)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CN)cc1
Show InChI InChI=1S/C27H30ClFN6O2/c1-16-25(28)20(14-21(31)26(16)29)27(37)33-22-13-18(5-8-23(22)35-11-9-34(2)10-12-35)17-3-6-19(7-4-17)32-24(36)15-30/h3-8,13-14H,9-12,15,30-31H2,1-2H3,(H,32,36)(H,33,37)
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n/an/a 63n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208384
PNG
(CHEMBL3884212)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C27H28ClFN4O3/c1-16-24(28)20(15-21(30)25(16)29)26(34)31-22-14-19(17-4-6-18(7-5-17)27(35)36-3)8-9-23(22)33-12-10-32(2)11-13-33/h4-9,14-15H,10-13,30H2,1-3H3,(H,31,34)
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n/an/a 70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208379
PNG
(CHEMBL3885048)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C27H29ClFN5O2/c1-16-25(28)21(15-22(30)26(16)29)27(36)32-23-14-19(18-4-7-20(8-5-18)31-17(2)35)6-9-24(23)34-12-10-33(3)11-13-34/h4-9,14-15H,10-13,30H2,1-3H3,(H,31,35)(H,32,36)
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n/an/a 70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208365
PNG
(CHEMBL3885462)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C29H33ClFN5O2/c1-4-5-26(37)33-21-9-6-19(7-10-21)20-8-11-25(36-14-12-35(3)13-15-36)24(16-20)34-29(38)22-17-23(32)28(31)18(2)27(22)30/h6-11,16-17H,4-5,12-15,32H2,1-3H3,(H,33,37)(H,34,38)
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n/an/a 76n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208391
PNG
(CHEMBL3884230)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C29H31ClFN5O2/c1-17-26(30)22(16-23(32)27(17)31)29(38)34-24-15-20(7-10-25(24)36-13-11-35(2)12-14-36)18-5-8-21(9-6-18)33-28(37)19-3-4-19/h5-10,15-16,19H,3-4,11-14,32H2,1-2H3,(H,33,37)(H,34,38)
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n/an/a 76n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208366
PNG
(CHEMBL3885279)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(c(F)c(C)c1Cl)[N+]([O-])=O)-c1ccncc1
Show InChI InChI=1S/C24H23ClFN5O3/c1-15-22(25)18(14-21(23(15)26)31(33)34)24(32)28-19-13-17(16-5-7-27-8-6-16)3-4-20(19)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12H2,1-2H3,(H,28,32)
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n/an/a 77n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208376
PNG
(CHEMBL3883988)
Show SMILES CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C33H40ClFN6O4/c1-19-28(34)24(18-25(36)29(19)35)31(43)39-26-17-22(9-12-27(26)41-15-13-40(6)14-16-41)21-7-10-23(11-8-21)38-30(42)20(2)37-32(44)45-33(3,4)5/h7-12,17-18,20H,13-16,36H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 78n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208373
PNG
(CHEMBL3884933)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C34H42ClFN6O4/c1-21-30(35)25(20-26(37)31(21)36)32(44)40-27-19-23(10-13-28(27)42-17-15-41(5)16-18-42)22-8-11-24(12-9-22)39-29(43)7-6-14-38-33(45)46-34(2,3)4/h8-13,19-20H,6-7,14-18,37H2,1-5H3,(H,38,45)(H,39,43)(H,40,44)
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n/an/a 80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208378
PNG
(CHEMBL3884501)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C28H31ClFN5O2/c1-4-25(36)32-20-8-5-18(6-9-20)19-7-10-24(35-13-11-34(3)12-14-35)23(15-19)33-28(37)21-16-22(31)27(30)17(2)26(21)29/h5-10,15-16H,4,11-14,31H2,1-3H3,(H,32,36)(H,33,37)
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n/an/a 82n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208372
PNG
(CHEMBL3885241)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(N)cc1
Show InChI InChI=1S/C25H27ClFN5O/c1-15-23(26)19(14-20(29)24(15)27)25(33)30-21-13-17(16-3-6-18(28)7-4-16)5-8-22(21)32-11-9-31(2)10-12-32/h3-8,13-14H,9-12,28-29H2,1-2H3,(H,30,33)
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n/an/a 89n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208358
PNG
(CHEMBL3885409)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(c(F)c(C)c2Cl)[N+]([O-])=O)c1
Show InChI InChI=1S/C27H26ClFN4O5/c1-16-24(28)20(15-23(25(16)29)33(36)37)26(34)30-21-14-19(17-4-6-18(7-5-17)27(35)38-3)8-9-22(21)32-12-10-31(2)11-13-32/h4-9,14-15H,10-13H2,1-3H3,(H,30,34)
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n/an/a 93n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208370
PNG
(CHEMBL3884538)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C29H33ClFN5O2/c1-17(2)28(37)33-21-8-5-19(6-9-21)20-7-10-25(36-13-11-35(4)12-14-36)24(15-20)34-29(38)22-16-23(32)27(31)18(3)26(22)30/h5-10,15-17H,11-14,32H2,1-4H3,(H,33,37)(H,34,38)
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n/an/a 96n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208375
PNG
(CHEMBL3884091)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C33H40ClFN6O4/c1-20-29(34)24(19-25(36)30(20)35)31(43)39-26-18-22(8-11-27(26)41-16-14-40(5)15-17-41)21-6-9-23(10-7-21)38-28(42)12-13-37-32(44)45-33(2,3)4/h6-11,18-19H,12-17,36H2,1-5H3,(H,37,44)(H,38,42)(H,39,43)
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n/an/a 102n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50184787
PNG
(CHEMBL3823308)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)-c1ccncc1
Show InChI InChI=1S/C24H24ClFN4O/c1-16-20(26)5-4-19(23(16)25)24(31)28-21-15-18(17-7-9-27-10-8-17)3-6-22(21)30-13-11-29(2)12-14-30/h3-10,15H,11-14H2,1-2H3,(H,28,31)
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n/an/a 104n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208417
PNG
(CHEMBL3885261)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1
Show InChI InChI=1S/C30H35ClFN5O2/c1-18(2)15-27(38)34-22-8-5-20(6-9-22)21-7-10-26(37-13-11-36(4)12-14-37)25(16-21)35-30(39)23-17-24(33)29(32)19(3)28(23)31/h5-10,16-18H,11-15,33H2,1-4H3,(H,34,38)(H,35,39)
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n/an/a 105n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208374
PNG
(CHEMBL3884185)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C34H42ClFN6O4/c1-20-28(35)24(19-25(37)29(20)36)30(43)39-26-18-22(10-13-27(26)42-16-14-41(7)15-17-42)21-8-11-23(12-9-21)38-31(44)34(5,6)40-32(45)46-33(2,3)4/h8-13,18-19H,14-17,37H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)
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n/an/a 113n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 190n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208368
PNG
(CHEMBL3885231)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O)-c1ccncc1
Show InChI InChI=1S/C23H22FN5O3/c1-27-10-12-28(13-11-27)21-5-3-17(16-6-8-25-9-7-16)14-20(21)26-23(30)18-2-4-19(24)22(15-18)29(31)32/h2-9,14-15H,10-13H2,1H3,(H,26,30)
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n/an/a 198n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50184957
PNG
(CHEMBL3822596)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)-c1ccc(N)cc1
Show InChI InChI=1S/C25H26ClFN4O/c1-16-21(27)9-8-20(24(16)26)25(32)29-22-15-18(17-3-6-19(28)7-4-17)5-10-23(22)31-13-11-30(2)12-14-31/h3-10,15H,11-14,28H2,1-2H3,(H,29,32)
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n/an/a 206n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50184958
PNG
(CHEMBL3823310)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(c(F)c(C)c1Cl)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H24ClFN4O3/c1-16-23(26)19(15-22(24(16)27)31(33)34)25(32)28-20-14-18(17-6-4-3-5-7-17)8-9-21(20)30-12-10-29(2)11-13-30/h3-9,14-15H,10-13H2,1-2H3,(H,28,32)
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n/an/a 207n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208390
PNG
(CHEMBL3884058)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(c(F)c(C)c1Cl)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H23ClFN5O5/c1-15-23(26)19(14-22(24(15)27)32(36)37)25(33)28-20-13-17(16-3-6-18(7-4-16)31(34)35)5-8-21(20)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12H2,1-2H3,(H,28,33)
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n/an/a 285n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208357
PNG
(CHEMBL3884315)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H23N5O5/c1-26-11-13-27(14-12-26)23-10-7-18(17-5-8-20(9-6-17)28(31)32)16-22(23)25-24(30)19-3-2-4-21(15-19)29(33)34/h2-10,15-16H,11-14H2,1H3,(H,25,30)
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n/an/a 285n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50164787
PNG
(CHEMBL3798088)
Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r|
Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SUMO-fused MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) expressed in Escherichia coli ...


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
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/a 338n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208394
PNG
(CHEMBL3884705)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C32H37ClFN5O2/c1-20-29(33)25(19-26(35)30(20)34)32(41)37-27-18-23(10-13-28(27)39-16-14-38(2)15-17-39)21-8-11-24(12-9-21)36-31(40)22-6-4-3-5-7-22/h8-13,18-19,22H,3-7,14-17,35H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 341n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM200723
PNG
(US9233086, 10L)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant SUMO-fused MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) expressed in Escherichia coli ...


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208356
PNG
(CHEMBL3884738)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H31ClFN5O2/c1-20-29(33)25(19-26(35)30(20)34)32(41)37-27-18-23(10-13-28(27)39-16-14-38(2)15-17-39)21-8-11-24(12-9-21)36-31(40)22-6-4-3-5-7-22/h3-13,18-19H,14-17,35H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 422n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50184952
PNG
(CHEMBL3823476)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)-c1ccccc1
Show InChI InChI=1S/C25H25ClFN3O/c1-17-21(27)10-9-20(24(17)26)25(31)28-22-16-19(18-6-4-3-5-7-18)8-11-23(22)30-14-12-29(2)13-15-30/h3-11,16H,12-15H2,1-2H3,(H,28,31)
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n/an/a 466n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM200723
PNG
(US9233086, 10L)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208388
PNG
(CHEMBL3883948)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H22FN5O5/c1-27-10-12-28(13-11-27)22-9-5-17(16-2-6-19(7-3-16)29(32)33)14-21(22)26-24(31)18-4-8-20(25)23(15-18)30(34)35/h2-9,14-15H,10-13H2,1H3,(H,26,31)
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n/an/a 1.09E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208382
PNG
(CHEMBL3885262)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(NC(C)=O)c(F)c(C)c1Cl)-c1ccncc1
Show InChI InChI=1S/C26H27ClFN5O2/c1-16-24(27)20(15-22(25(16)28)30-17(2)34)26(35)31-21-14-19(18-6-8-29-9-7-18)4-5-23(21)33-12-10-32(3)11-13-33/h4-9,14-15H,10-13H2,1-3H3,(H,30,34)(H,31,35)
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n/an/a 1.36E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208377
PNG
(CHEMBL3884567)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C32H38ClFN6O4/c1-19-28(33)23(17-24(35)29(19)34)30(42)38-25-16-21(8-11-26(25)40-14-12-39(5)13-15-40)20-6-9-22(10-7-20)37-27(41)18-36-31(43)44-32(2,3)4/h6-11,16-17H,12-15,18,35H2,1-5H3,(H,36,43)(H,37,41)(H,38,42)
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n/an/a 1.55E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208372
PNG
(CHEMBL3885241)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(N)cc1
Show InChI InChI=1S/C25H27ClFN5O/c1-15-23(26)19(14-20(29)24(15)27)25(33)30-21-13-17(16-3-6-18(28)7-4-16)5-8-22(21)32-11-9-31(2)10-12-32/h3-8,13-14H,9-12,28-29H2,1-2H3,(H,30,33)
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n/an/a 1.65E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208383
PNG
(CHEMBL3884156)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(NC(C)=O)c(F)c(C)c1Cl)-c1ccc(N)cc1
Show InChI InChI=1S/C27H29ClFN5O2/c1-16-25(28)21(15-23(26(16)29)31-17(2)35)27(36)32-22-14-19(18-4-7-20(30)8-5-18)6-9-24(22)34-12-10-33(3)11-13-34/h4-9,14-15H,10-13,30H2,1-3H3,(H,31,35)(H,32,36)
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n/an/a 3.19E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208380
PNG
(CHEMBL3884903)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(N)c1)-c1ccncc1
Show InChI InChI=1S/C23H24FN5O/c1-28-10-12-29(13-11-28)22-5-3-17(16-6-8-26-9-7-16)15-21(22)27-23(30)18-2-4-19(24)20(25)14-18/h2-9,14-15H,10-13,25H2,1H3,(H,27,30)
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n/an/a 5.80E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208381
PNG
(CHEMBL3884757)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(N)c1)-c1ccc(N)cc1
Show InChI InChI=1S/C24H26FN5O/c1-29-10-12-30(13-11-29)23-9-5-17(16-2-6-19(26)7-3-16)15-22(23)28-24(31)18-4-8-20(25)21(27)14-18/h2-9,14-15H,10-13,26-27H2,1H3,(H,28,31)
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n/an/a 1.36E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208396
PNG
(CHEMBL3885484)
Show SMILES Cc1c(F)ccc(C(=O)Nc2cc(ccc2NCCCn2ccnc2)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C20H19ClFN5O3/c1-13-16(22)5-4-15(19(13)21)20(28)25-18-11-14(27(29)30)3-6-17(18)24-7-2-9-26-10-8-23-12-26/h3-6,8,10-12,24H,2,7,9H2,1H3,(H,25,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208387
PNG
(CHEMBL3884724)
Show SMILES Cc1c(F)ccc(C(=O)Nc2cc(ccc2NCCN2CCCC2)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C20H22ClFN4O3/c1-13-16(22)6-5-15(19(13)21)20(27)24-18-12-14(26(28)29)4-7-17(18)23-8-11-25-9-2-3-10-25/h4-7,12,23H,2-3,8-11H2,1H3,(H,24,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))
BDBM50208386
PNG
(CHEMBL3884930)
Show SMILES Cc1c(F)ccc(C(=O)Nc2cc(ccc2N2CCN(Cc3ccccc3)CC2)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C25H24ClFN4O3/c1-17-21(27)9-8-20(24(17)26)25(32)28-22-15-19(31(33)34)7-10-23(22)30-13-11-29(12-14-30)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,28,32)
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n/an/a>2.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
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