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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'bolshan' and Initial = 'y'   
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
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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38n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50396981
PNG
(CHEMBL2171174)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
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300n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 472 amino acid residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM assessed as ...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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750n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assay


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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950n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by ...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50396023
PNG
(CHEMBL2169919)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 416 amino acid residues) using [3H]-SAM assessed as inhibition of nucleosome methylation incu...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5 (WDR5)


(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=1/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+/s2
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n/an/a 0.900n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of SUMO-His-tagged WDR5 (unknown origin) interaction with MLL1 assessed as displacement of fluorescence labelled Ac-ARA peptide substrate ...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM200712
PNG
(US9233086, 10A)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1/C35H51N7O4/c1-5-34(6-2,41-29(43)24(3)4)31(45)39-27(20-15-23-38-33(36)37)30(44)42-35(21-13-14-22-35)32(46)40-28(25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,16-19,24,27-28H,5-6,13-15,20-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H4,36,37,38)/t27-/s2
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n/an/a 2.90n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged WDR5 (24 to 334 residues) (unknown origin) interaction with MLL1 assessed as displacement of 5-Lys-FAM peptide su...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(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=1/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+/s2
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n/an/a 320n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of SUMO-His-tagged MLL1 activity (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using histone H3 as substrate by sci...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50164770
PNG
(CHEMBL3799275)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc2ccccc2c1
Show InChI InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)24-7-6-17(19-12-18-4-2-3-5-22(18)31-15-19)13-23(24)33-26(37)20-16-32-25(36)14-21(20)27(28,29)30/h2-7,12-16H,8-11H2,1H3,(H,32,36)(H,33,37)
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n/an/a 500n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE assay in presence ...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50164770
PNG
(CHEMBL3799275)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc2ccccc2c1
Show InChI InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)24-7-6-17(19-12-18-4-2-3-5-22(18)31-15-19)13-23(24)33-26(37)20-16-32-25(36)14-21(20)27(28,29)30/h2-7,12-16H,8-11H2,1H3,(H,32,36)(H,33,37)
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n/an/a 600n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT4 using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE assay in presence of ATP


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 472 amino acid residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM assessed as ...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assay


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by ...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50431676
PNG
(CHEMBL2349526)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(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
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
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n/an/a 1.82E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...


Bioorg Med Chem 21: 1787-94 (2013)


Article DOI: 10.1016/j.bmc.2013.01.049
BindingDB Entry DOI: 10.7270/Q24F1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164773
PNG
(CHEMBL3799127)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(N)cc1
Show InChI InChI=1S/C24H24F3N5O2/c1-31-8-10-32(11-9-31)21-7-4-16(15-2-5-17(28)6-3-15)12-20(21)30-23(34)18-14-29-22(33)13-19(18)24(25,26)27/h2-7,12-14H,8-11,28H2,1H3,(H,29,33)(H,30,34)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164785
PNG
(CHEMBL3797967)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnn(CCN2CCOCC2)c1
Show InChI InChI=1S/C27H32F3N7O3/c1-34-4-7-36(8-5-34)24-3-2-19(20-16-32-37(18-20)9-6-35-10-12-40-13-11-35)14-23(24)33-26(39)21-17-31-25(38)15-22(21)27(28,29)30/h2-3,14-18H,4-13H2,1H3,(H,31,38)(H,33,39)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(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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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164786
PNG
(CHEMBL3798573)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(C)c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C28H28N4O/c1-20-6-5-8-23(16-20)28(33)30-26-18-21(10-11-27(26)32-14-12-31(2)13-15-32)24-17-22-7-3-4-9-25(22)29-19-24/h3-11,16-19H,12-15H2,1-2H3,(H,30,33)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164788
PNG
(CHEMBL3800271)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(C)cc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N4O3/c1-14-10-15(2)12-16(11-14)20(25)21-18-13-17(24(26)27)4-5-19(18)23-8-6-22(3)7-9-23/h4-5,10-13H,6-9H2,1-3H3,(H,21,25)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164789
PNG
(CHEMBL3798578)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(C)c(F)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H23FN4O3/c1-13-10-15(11-14(2)19(13)21)20(26)22-17-12-16(25(27)28)4-5-18(17)24-8-6-23(3)7-9-24/h4-5,10-12H,6-9H2,1-3H3,(H,22,26)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164790
PNG
(CHEMBL3797611)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c(F)c(C)c(F)c(C)c1F)[N+]([O-])=O
Show InChI InChI=1S/C20H21F3N4O3/c1-11-17(21)12(2)19(23)16(18(11)22)20(28)24-14-10-13(27(29)30)4-5-15(14)26-8-6-25(3)7-9-26/h4-5,10H,6-9H2,1-3H3,(H,24,28)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164791
PNG
(CHEMBL3799704)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H18F3N5O4/c1-24-4-6-25(7-5-24)15-3-2-11(26(29)30)8-14(15)23-17(28)12-10-22-16(27)9-13(12)18(19,20)21/h2-3,8-10H,4-7H2,1H3,(H,22,27)(H,23,28)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164792
PNG
(CHEMBL3798198)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc2OCCc2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-32-7-9-33(10-8-32)22-4-2-17(16-3-5-23-18(12-16)6-11-36-23)13-21(22)31-25(35)19-15-30-24(34)14-20(19)26(27,28)29/h2-5,12-15H,6-11H2,1H3,(H,30,34)(H,31,35)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164770
PNG
(CHEMBL3799275)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc2ccccc2c1
Show InChI InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)24-7-6-17(19-12-18-4-2-3-5-22(18)31-15-19)13-23(24)33-26(37)20-16-32-25(36)14-21(20)27(28,29)30/h2-7,12-16H,8-11H2,1H3,(H,32,36)(H,33,37)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164793
PNG
(CHEMBL3799840)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H24F3N5O2/c1-33-8-10-34(11-9-33)23-5-3-17(16-2-4-21-18(12-16)6-7-30-21)13-22(23)32-25(36)19-15-31-24(35)14-20(19)26(27,28)29/h2-7,12-15,30H,8-11H2,1H3,(H,31,35)(H,32,36)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164794
PNG
(CHEMBL3798846)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164795
PNG
(CHEMBL3799608)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(NC(C)=O)nc1
Show InChI InChI=1S/C25H25F3N6O3/c1-15(35)31-22-6-4-17(13-29-22)16-3-5-21(34-9-7-33(2)8-10-34)20(11-16)32-24(37)18-14-30-23(36)12-19(18)25(26,27)28/h3-6,11-14H,7-10H2,1-2H3,(H,30,36)(H,32,37)(H,29,31,35)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50164796
PNG
(CHEMBL3800054)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(N)nc1
Show InChI InChI=1S/C23H23F3N6O2/c1-31-6-8-32(9-7-31)19-4-2-14(15-3-5-20(27)28-12-15)10-18(19)30-22(34)16-13-29-21(33)11-17(16)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H2,27,28)(H,29,33)(H,30,34)
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Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...


J Med Chem 59: 2478-96 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(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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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 (WDR5)


(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)
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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
WD repeat-containing protein 5 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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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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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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 (WDR5)


(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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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
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