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PubMed code 26958703

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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 (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
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



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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
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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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)


Article DOI: 10.1021/acs.jmedchem.5b01630
BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
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
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 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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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)


Article DOI: 10.1021/acs.jmedchem.5b01630
BindingDB Entry DOI: 10.7270/Q2VT1V0C
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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 50n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 50n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 30n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 30n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 380n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 720n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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))
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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n/an/an/a 330n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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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n/an/an/a 340n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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)


Article DOI: 10.1021/acs.jmedchem.5b01630
BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
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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n/an/an/a 390n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
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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Article
PubMed
n/an/an/a 40n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 210n/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01630
BindingDB Entry DOI: 10.7270/Q2VT1V0C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%