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Compile Data Set for Download or QSAR

Found 380 hits with Last Name = 'wang' and Initial = 'zh'   
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 2A


(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=1S/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-/m0/s1
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<1n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A


(Homo sapiens (Human))		BDBM200722
PNG
(US9233086, 10K)
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(Cl)cc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H49Cl2N7O4/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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<1n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A


(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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<1n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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 2.60n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...

Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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 3.70n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues)

Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))		BDBM50454123
PNG
(CHEMBL4216333)
Show SMILES NCC(CCN1CCC(=CC1)c1ccc(Cl)cc1)(C1CCCC1)c1ccccc1 |c:8|
Show InChI InChI=1S/C26H33ClN2/c27-25-12-10-21(11-13-25)22-14-17-29(18-15-22)19-16-26(20-28,24-8-4-5-9-24)23-6-2-1-3-7-23/h1-3,6-7,10-14,24H,4-5,8-9,15-20,28H2
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 80n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of FITC-MBM1 from full length human menin measured after 2 hrs by fluorescence polarization assay

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
More data for this
Ligand-Target Pair
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
Menin


(Homo sapiens (Human))		BDBM50454121
PNG
(CHEMBL4211366)
Show SMILES [H][C@@]12CN(CC(O)CCCc3ccccc3)C[C@@]([H])(C1)n1c(C2)cccc1=O |THB:26:20:2.3.16:19,4:3:19:20.21.22|
Show InChI InChI=1S/C22H28N2O2/c25-21(10-4-8-17-6-2-1-3-7-17)16-23-14-18-12-19-9-5-11-22(26)24(19)20(13-18)15-23/h1-3,5-7,9,11,18,20-21,25H,4,8,10,12-16H2/t18-,20+,21?/m0/s1
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of FITC-MBM1 from menin (unknown origin) measured after 1 hr by fluorescence polarization assay

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
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 C-terminal 5-FAM-WIN peptide binding to N-terminal His-tagged WDR5 (24 to 334 residues) (unknown origin) expressed in Rosetta2-(DE3) pL...

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A


(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 MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
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
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50442103
PNG
(CHEMBL2441082)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)
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n/an/a<2.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin)

Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A


(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=1S/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-/m0/s1
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487098
PNG
(CHEBI:8939 | FLUMIOXAZIN)
Show SMILES Fc1cc2OCC(=O)N(CC#C)c2cc1N1C(=O)C2=C(CCCC2)C1=O |t:20|
Show InChI InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
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UniProtKB/TrEMBL

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n/an/a 3.20n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin)

Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase 2A


(Homo sapiens (Human))		BDBM200722
PNG
(US9233086, 10K)
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(Cl)cc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H49Cl2N7O4/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 4.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
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
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487103
PNG
(CHEMBL2253458)
Show SMILES Fc1cc2OCC(=O)N(CC#C)c2cc1-n1nnc2n(CC=C)ncc2c1=O
Show InChI InChI=1S/C18H13FN6O3/c1-3-5-23-14-8-13(12(19)7-15(14)28-10-16(23)26)25-18(27)11-9-20-24(6-4-2)17(11)21-22-25/h1,4,7-9H,2,5-6,10H2
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n/an/a 9.5n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487088
PNG
(CHEMBL2253456)
Show SMILES Fc1cc(Cl)c(OCC#C)cc1-n1nnc2n(CC=C)ncc2c1=O
Show InChI InChI=1S/C16H11ClFN5O2/c1-3-5-22-15-10(9-19-22)16(24)23(21-20-15)13-8-14(25-6-4-2)11(17)7-12(13)18/h2-3,7-9H,1,5-6H2
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n/an/a 11n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487097
PNG
(CHEMBL2251237)
Show SMILES CCCn1ncc2c1nnn(-c1cc3N(CC#C)C(=O)COc3cc1F)c2=O
Show InChI InChI=1S/C18H15FN6O3/c1-3-5-23-14-8-13(12(19)7-15(14)28-10-16(23)26)25-18(27)11-9-20-24(6-4-2)17(11)21-22-25/h1,7-9H,4-6,10H2,2H3
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n/an/a 13n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50005782
PNG
(ATI-13387X | ONALESPIB)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
Show InChI InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487091
PNG
(CHEMBL2253339)
Show SMILES Cn1ncc2c1nnn(-c1cc3N(CC#C)C(=O)COc3cc1F)c2=O
Show InChI InChI=1S/C16H11FN6O3/c1-3-4-22-12-6-11(10(17)5-13(12)26-8-14(22)24)23-16(25)9-7-18-21(2)15(9)19-20-23/h1,5-7H,4,8H2,2H3
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n/an/a 14n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...

Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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n/an/a<15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...

Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
Menin


(Homo sapiens (Human))		BDBM50454124
PNG
(CHEMBL3780822)
Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(Cc3cn[nH]c3)c(cc12)C#N
Show InChI InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of FITC-MBM1 from full length human menin measured after 1 hr by fluorescence polarization assay

Bioorg Med Chem 26: 356-365 (2018)


Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555456
PNG
(CHEMBL4779990)
Show SMILES COCCOc1nc2CCN(Cc2c(n1)N(C)C)C(=O)c1cc(C(C)C)c(O)cc1O
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555451
PNG
(CHEMBL4782374)
Show SMILES CNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487086
PNG
(CHEMBL2253459)
Show SMILES Fc1cc2OCC(=O)N(CC=C)c2cc1-n1nnc2n(CC=C)ncc2c1=O
Show InChI InChI=1S/C18H15FN6O3/c1-3-5-23-14-8-13(12(19)7-15(14)28-10-16(23)26)25-18(27)11-9-20-24(6-4-2)17(11)21-22-25/h3-4,7-9H,1-2,5-6,10H2
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n/an/a 17n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
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
Protoporphyrinogen oxidase


(Zea mays)		BDBM50487110
PNG
(CHEMBL2253460)
Show SMILES CCCn1ncc2c1nnn(-c1cc3N(CC=C)C(=O)COc3cc1F)c2=O
Show InChI InChI=1S/C18H17FN6O3/c1-3-5-23-14-8-13(12(19)7-15(14)28-10-16(23)26)25-18(27)11-9-20-24(6-4-2)17(11)21-22-25/h3,7-9H,1,4-6,10H2,2H3
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n/an/a 18n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc...

J Agric Food Chem 56: 9535-42 (2008)


Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555440
PNG
(CHEMBL4797602)
Show SMILES COCCOc1ncc2CN(CCc2n1)C(=O)c1cc(C(C)C)c(O)cc1O
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555455
PNG
(CHEMBL4753741)
Show SMILES COCCOc1nc2CCN(Cc2c(NC2CC2)n1)C(=O)c1cc(C(C)C)c(O)cc1O
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195326
PNG
(CHEMBL3935228)
Show SMILES CCOC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H23FN4O5/c1-3-31-21(28)15-5-7-18(25-10-8-24(2)9-11-25)17(12-15)23-20(27)14-4-6-16(22)19(13-14)26(29)30/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195365
PNG
(CHEMBL3943757)
Show SMILES CC(C)OC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(N)c2)c1
Show InChI InChI=1S/C22H27FN4O3/c1-14(2)30-22(29)16-5-7-20(27-10-8-26(3)9-11-27)19(13-16)25-21(28)15-4-6-17(23)18(24)12-15/h4-7,12-14H,8-11,24H2,1-3H3,(H,25,28)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195366
PNG
(CHEMBL3906985)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(N)c1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C25H25FN4O3/c1-29-11-13-30(14-12-29)23-10-8-18(25(32)33-19-5-3-2-4-6-19)16-22(23)28-24(31)17-7-9-20(26)21(27)15-17/h2-10,15-16H,11-14,27H2,1H3,(H,28,31)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195368
PNG
(CHEMBL3953704)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)C(=O)OC1CCCCC1
Show InChI InChI=1S/C26H31ClFN3O3/c1-17-21(28)10-9-20(24(17)27)25(32)29-22-16-18(26(33)34-19-6-4-3-5-7-19)8-11-23(22)31-14-12-30(2)13-15-31/h8-11,16,19H,3-7,12-15H2,1-2H3,(H,29,32)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195454
PNG
(CHEMBL3893446)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(c(F)c(C)c1Cl)[N+]([O-])=O)C(=O)OC1CCCCC1
Show InChI InChI=1S/C26H30ClFN4O5/c1-16-23(27)19(15-22(24(16)28)32(35)36)25(33)29-20-14-17(26(34)37-18-6-4-3-5-7-18)8-9-21(20)31-12-10-30(2)11-13-31/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,29,33)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195428
PNG
(CHEMBL3938878)
Show SMILES COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(N)c2)c1
Show InChI InChI=1S/C20H23FN4O3/c1-24-7-9-25(10-8-24)18-6-4-14(20(27)28-2)12-17(18)23-19(26)13-3-5-15(21)16(22)11-13/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,26)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195429
PNG
(CHEMBL3956505)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(N)c1)C(=O)OC1CCCCC1
Show InChI InChI=1S/C25H31FN4O3/c1-29-11-13-30(14-12-29)23-10-8-18(25(32)33-19-5-3-2-4-6-19)16-22(23)28-24(31)17-7-9-20(26)21(27)15-17/h7-10,15-16,19H,2-6,11-14,27H2,1H3,(H,28,31)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195431
PNG
(CHEMBL3965924)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C19H19FN4O5/c1-22-6-8-23(9-7-22)16-5-3-13(19(26)27)10-15(16)21-18(25)12-2-4-14(20)17(11-12)24(28)29/h2-5,10-11H,6-9H2,1H3,(H,21,25)(H,26,27)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195452
PNG
(CHEMBL3929919)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O)C(=O)OC1CCCCC1
Show InChI InChI=1S/C25H29FN4O5/c1-28-11-13-29(14-12-28)22-10-8-18(25(32)35-19-5-3-2-4-6-19)15-21(22)27-24(31)17-7-9-20(26)23(16-17)30(33)34/h7-10,15-16,19H,2-6,11-14H2,1H3,(H,27,31)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195370
PNG
(CHEMBL3936042)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(C)c1Cl)C(O)=O
Show InChI InChI=1S/C20H21ClFN3O3/c1-12-15(22)5-4-14(18(12)21)19(26)23-16-11-13(20(27)28)3-6-17(16)25-9-7-24(2)8-10-25/h3-6,11H,7-10H2,1-2H3,(H,23,26)(H,27,28)
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n/an/a>20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50005782
PNG
(ATI-13387X | ONALESPIB)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
Show InChI InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal GRP94 (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
WD repeat-containing protein 5


(Homo sapiens (Human))		BDBM50195432
PNG
(CHEMBL3957478)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)C(=O)Oc1ccccc1
Show InChI InChI=1S/C26H26ClFN4O3/c1-16-23(27)19(15-20(29)24(16)28)25(33)30-21-14-17(26(34)35-18-6-4-3-5-7-18)8-9-22(21)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13,29H2,1-2H3,(H,30,33)
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n/an/a 26n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 24: 6109-6118 (2016)


Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555448
PNG
(CHEMBL4793342)
Show SMILES CCOc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O
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TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555416
PNG
(CHEMBL4781723)
Show SMILES CC(C)c1cc(C(=O)N2CCc3nc(C)ncc3C2)c(O)cc1O
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50555446
PNG
(CHEMBL4759029)
Show SMILES CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCOCC4)ncc3C2)c(O)cc1O
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TBA

Assay Description
Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ72FH
More data for this
Ligand-Target Pair
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