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Compile Data Set for Download or QSAR

Found 2986 hits with Last Name = 'boloor' and Initial = 'a'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 0.600n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26467
PNG
(3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrim...)
Show SMILES CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H19N7O2S/c1-12-16-7-6-14(11-17(16)25-24-12)26(2)18-8-9-21-19(23-18)22-13-4-3-5-15(10-13)29(20,27)28/h3-11H,1-2H3,(H,24,25)(H2,20,27,28)(H,21,22,23)
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n/an/a 0.600n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234304
PNG
(CHEMBL4062894)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCNCC1 |r|
Show InChI InChI=1S/C23H29N7O3S2/c1-35(32,33)30-10-2-3-16(14-30)20-15-34-23(28-20)18-13-17(29-11-8-24-9-12-29)4-5-19(18)27-22(31)21-25-6-7-26-21/h4-7,13,15-16,24H,2-3,8-12,14H2,1H3,(H,25,26)(H,27,31)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26478
PNG
(6,7-dimethoxy-N-(3-methyl-1H-indazol-6-yl)quinazol...)
Show SMILES COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21)
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n/an/a 1.70n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234305
PNG
(CHEMBL4090103)
Show SMILES CN(C)CCOc1ccc(NC(=O)c2ncc[nH]2)c(c1)-c1nc(cs1)[C@H]1CCCN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30N6O4S2/c1-28(2)11-12-33-17-6-7-19(26-22(30)21-24-8-9-25-21)18(13-17)23-27-20(15-34-23)16-5-4-10-29(14-16)35(3,31)32/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3,(H,24,25)(H,26,30)/t16-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50158627
PNG
(CHEMBL3787482 | US10023592, Example 81)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285038
PNG
(4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234306
PNG
(CHEMBL4094158)
Show SMILES CS(=O)(=O)N1CCO[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCOCC1 |r|
Show InChI InChI=1S/C22H26N6O5S2/c1-35(30,31)28-8-11-33-19(13-28)18-14-34-22(26-18)16-12-15(27-6-9-32-10-7-27)2-3-17(16)25-21(29)20-23-4-5-24-20/h2-5,12,14,19H,6-11,13H2,1H3,(H,23,24)(H,25,29)/t19-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26470
PNG
(3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)...)
Show SMILES CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C26H25N7O2S/c1-18-23-12-11-21(16-24(23)31-33(18)17-19-7-4-3-5-8-19)32(2)25-13-14-28-26(30-25)29-20-9-6-10-22(15-20)36(27,34)35/h3-16H,17H2,1-2H3,(H2,27,34,35)(H,28,29,30)
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n/an/a 2.60n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285038
PNG
(4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234303
PNG
(CHEMBL4066616)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCOCC1 |r|
Show InChI InChI=1S/C23H28N6O4S2/c1-35(31,32)29-8-2-3-16(14-29)20-15-34-23(27-20)18-13-17(28-9-11-33-12-10-28)4-5-19(18)26-22(30)21-24-6-7-25-21/h4-7,13,15-16H,2-3,8-12,14H2,1H3,(H,24,25)(H,26,30)/t16-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50158627
PNG
(CHEMBL3787482 | US10023592, Example 81)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285167
PNG
(2-methyl-6-(1-methylpyrazol-4-yl)-4-(5- methylsulf...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N3O4S/c1-5-10-31-23-9-7-18(32(4,29)30)12-21(23)22-15-26(2)24(28)19-8-6-16(11-20(19)22)17-13-25-27(3)14-17/h6-9,11-15H,5,10H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26469
PNG
(3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)
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n/an/a 5.60n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26479
PNG
(4-N-(3-methyl-1H-indazol-6-yl)-2-N-(3,4,5-trimetho...)
Show SMILES COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)
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n/an/a 6.30n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26476
PNG
(5-({2-[(3-bromophenyl)amino]pyrimidin-4-yl}amino)-...)
Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O
Show InChI InChI=1S/C17H15BrN4O/c1-11-5-6-14(10-15(11)23)20-16-7-8-19-17(22-16)21-13-4-2-3-12(18)9-13/h2-10,23H,1H3,(H2,19,20,21,22)
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n/an/a 6.30n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26471
PNG
(3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrim...)
Show SMILES CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 7.60n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285167
PNG
(2-methyl-6-(1-methylpyrazol-4-yl)-4-(5- methylsulf...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N3O4S/c1-5-10-31-23-9-7-18(32(4,29)30)12-21(23)22-15-26(2)24(28)19-8-6-16(11-20(19)22)17-13-25-27(3)14-17/h6-9,11-15H,5,10H2,1-4H3
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Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285166
PNG
(4-(2-ethoxy-5-methylsulfonylphenyl)-2- methyl-6-(1...)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-5-30-22-9-7-17(31(4,28)29)11-20(22)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285034
PNG
(4-(5-ethylsulfonyl-2-methoxyphenyl)-2- methyl-6-(1...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26473
PNG
(3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(meth...)
Show SMILES CN(c1ccc2n(C)c(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)
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n/an/a 17n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285039
PNG
(4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...)
Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285166
PNG
(4-(2-ethoxy-5-methylsulfonylphenyl)-2- methyl-6-(1...)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-5-30-22-9-7-17(31(4,28)29)11-20(22)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3
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n/an/a 24n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234302
PNG
(CHEMBL4086393)
Show SMILES CS(=O)(=O)N1CCO[C@@H](C1)c1csc(n1)-c1ccccc1NC(=O)c1ncc[nH]1 |r|
Show InChI InChI=1S/C18H19N5O4S2/c1-29(25,26)23-8-9-27-15(10-23)14-11-28-18(22-14)12-4-2-3-5-13(12)21-17(24)16-19-6-7-20-16/h2-7,11,15H,8-10H2,1H3,(H,19,20)(H,21,24)/t15-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/a 30n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234293
PNG
(CHEMBL4069884)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1ccccc1NC(=O)c1ncc[nH]1 |r|
Show InChI InChI=1S/C19H21N5O3S2/c1-29(26,27)24-10-4-5-13(11-24)16-12-28-19(23-16)14-6-2-3-7-15(14)22-18(25)17-20-8-9-21-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,21)(H,22,25)/t13-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26468
PNG
(3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)27(3)25-13)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)
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n/an/a 36n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234295
PNG
(CHEMBL4080569)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1ccccc1NC(=O)c1nc(c[nH]1)C#N |r|
Show InChI InChI=1S/C20H20N6O3S2/c1-31(28,29)26-8-4-5-13(11-26)17-12-30-20(25-17)15-6-2-3-7-16(15)24-19(27)18-22-10-14(9-21)23-18/h2-3,6-7,10,12-13H,4-5,8,11H2,1H3,(H,22,23)(H,24,27)/t13-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285040
PNG
(4-[2-(2-aminoethoxy)-5-ethylsulfonylphenyl]- 2-met...)
Show SMILES CCS(=O)(=O)c1ccc(OCCN)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N4O4S/c1-4-33(30,31)18-6-8-23(32-10-9-25)21(12-18)22-15-27(2)24(29)19-7-5-16(11-20(19)22)17-13-26-28(3)14-17/h5-8,11-15H,4,9-10,25H2,1-3H3
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n/an/a 49n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM284997
PNG
(N-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1- oxoisoq...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26472
PNG
(3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...)
Show SMILES CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-8-7-15(12-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)
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n/an/a 63n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM285034
PNG
(4-(5-ethylsulfonyl-2-methoxyphenyl)-2- methyl-6-(1...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3
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n/an/a 65n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 28: 1811-1816 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.016
BindingDB Entry DOI: 10.7270/Q20Z75WN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234308
PNG
(CHEMBL4088862)
Show SMILES NS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1ccccc1NC(=O)c1ncc[nH]1 |r|
Show InChI InChI=1S/C18H20N6O3S2/c19-29(26,27)24-9-3-4-12(10-24)15-11-28-18(23-15)13-5-1-2-6-14(13)22-17(25)16-20-7-8-21-16/h1-2,5-8,11-12H,3-4,9-10H2,(H,20,21)(H,22,25)(H2,19,26,27)/t12-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347122
PNG
(2-(4-(5-methyl-1H-indol-1-yl)phenoxy) pyrido[3,4-d...)
Show SMILES Cc1ccc2n(ccc2c1)-c1ccc(Oc2nc(O)c3ccncc3n2)cc1
Show InChI InChI=1S/C22H16N4O2/c1-14-2-7-20-15(12-14)9-11-26(20)16-3-5-17(6-4-16)28-22-24-19-13-23-10-8-18(19)21(27)25-22/h2-13H,1H3,(H,24,25,27)
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347123
PNG
(2-(4-((4-isopropylphenyl) (piperidin-3-yl)amino)ph...)
Show SMILES CC(C)c1ccc(cc1)N(C1CCCNC1)c1ccc(Oc2nc(O)c3ccncc3n2)cc1
Show InChI InChI=1S/C27H29N5O2/c1-18(2)19-5-7-20(8-6-19)32(22-4-3-14-28-16-22)21-9-11-23(12-10-21)34-27-30-25-17-29-15-13-24(25)26(33)31-27/h5-13,15,17-18,22,28H,3-4,14,16H2,1-2H3,(H,30,31,33)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347125
PNG
(2-(4-((3-(4-isopropylpiperazin-1- yl)phenyl)(methy...)
Show SMILES CC(C)N1CCN(CC1)c1cccc(c1)N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1
Show InChI InChI=1S/C27H30N6O2/c1-19(2)32-13-15-33(16-14-32)22-6-4-5-21(17-22)31(3)20-7-9-23(10-8-20)35-27-29-25-18-28-12-11-24(25)26(34)30-27/h4-12,17-19H,13-16H2,1-3H3,(H,29,30,34)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347126
PNG
(2-(4-(methyl(3-(4-methylpiperazin-1- yl)phenyl)ami...)
Show SMILES CN(c1cccc(c1)N1CCN(C)CC1)c1ccc(Oc2nc(O)c3ccncc3n2)cc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c1-33-10-12-35(13-11-33)18-5-3-4-17(14-18)34(2)23-7-6-19(15-21(23)26(27,28)29)37-25-31-22-16-30-9-8-20(22)24(36)32-25/h3-9,14-16H,10-13H2,1-2H3,(H,31,32,36)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347127
PNG
(2-(3-methyl-4-(methyl(3-(4-methyl- piperazin-1-yl)...)
Show SMILES CN(c1cccc(c1)N1CCN(C)CC1)c1ccc(Oc2nc(O)c3ccncc3n2)cc1C
Show InChI InChI=1S/C26H28N6O2/c1-18-15-21(34-26-28-23-17-27-10-9-22(23)25(33)29-26)7-8-24(18)31(3)19-5-4-6-20(16-19)32-13-11-30(2)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29,33)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347129
PNG
(-(4-(methyl(3-(4-methylpiperazin-1-yl)-4- (2,2,2-t...)
Show SMILES CN(c1ccc(Oc2nc(O)c3ccncc3n2)cc1)c1ccc(OCC(F)(F)F)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C27H27F3N6O3/c1-34-11-13-36(14-12-34)23-15-19(5-8-24(23)38-17-27(28,29)30)35(2)18-3-6-20(7-4-18)39-26-32-22-16-31-10-9-21(22)25(37)33-26/h3-10,15-16H,11-14,17H2,1-2H3,(H,32,33,37)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347131
PNG
(2-(4-((3-(4-ethylpiperazin-1-yl) phenyl)(methyl)am...)
Show SMILES CCN1CCN(CC1)c1cccc(c1)N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1
Show InChI InChI=1S/C26H28N6O2/c1-3-31-13-15-32(16-14-31)21-6-4-5-20(17-21)30(2)19-7-9-22(10-8-19)34-26-28-24-18-27-12-11-23(24)25(33)29-26/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,29,33)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347132
PNG
(2-(4-(methyl(3-(1-methyl-1,2,3,6- tetrahydropyridi...)
Show SMILES CN(c1ccc(Oc2nc(O)c3ccncc3n2)cc1)c1cccc(c1)C1=CCN(C)CC1 |t:30|
Show InChI InChI=1S/C26H25N5O2/c1-30-14-11-18(12-15-30)19-4-3-5-21(16-19)31(2)20-6-8-22(9-7-20)33-26-28-24-17-27-13-10-23(24)25(32)29-26/h3-11,13,16-17H,12,14-15H2,1-2H3,(H,28,29,32)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347133
PNG
(2-(4-(methyl(3-(1-methylpiperidin-4- yl)phenyl)ami...)
Show SMILES CN(c1ccc(Oc2nc(O)c3ccncc3n2)cc1)c1cccc(c1)C1CCN(C)CC1
Show InChI InChI=1S/C26H27N5O2/c1-30-14-11-18(12-15-30)19-4-3-5-21(16-19)31(2)20-6-8-22(9-7-20)33-26-28-24-17-27-13-10-23(24)25(32)29-26/h3-10,13,16-18H,11-12,14-15H2,1-2H3,(H,28,29,32)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347134
PNG
(2-(4-(ethyl(3-(4-methylpiperazin-1- yl)phenyl)amin...)
Show SMILES CCN(c1ccc(Oc2nc(O)c3ccncc3n2)cc1)c1cccc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H28N6O2/c1-3-32(21-6-4-5-20(17-21)31-15-13-30(2)14-16-31)19-7-9-22(10-8-19)34-26-28-24-18-27-12-11-23(24)25(33)29-26/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,29,33)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347135
PNG
(2-(4-((cyclopropylmethyl)(3-(4-methyl piperazin-1-...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(CC1CC1)c1ccc(Oc2nc(O)c3ccncc3n2)cc1
Show InChI InChI=1S/C28H30N6O2/c1-32-13-15-33(16-14-32)22-3-2-4-23(17-22)34(19-20-5-6-20)21-7-9-24(10-8-21)36-28-30-26-18-29-12-11-25(26)27(35)31-28/h2-4,7-12,17-18,20H,5-6,13-16,19H2,1H3,(H,30,31,35)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347137
PNG
(2-(4-((4-ethylphenyl)(methyl)amino)-3- methylpheno...)
Show SMILES CCc1ccc(cc1)N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1C
Show InChI InChI=1S/C23H22N4O2/c1-4-16-5-7-17(8-6-16)27(3)21-10-9-18(13-15(21)2)29-23-25-20-14-24-12-11-19(20)22(28)26-23/h5-14H,4H2,1-3H3,(H,25,26,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347138
PNG
(2-(4-((2-methoxy-5-(4-methylpiperazin-1-yl) phenyl...)
Show SMILES COc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1C)N1CCN(C)CC1
Show InChI InChI=1S/C27H30N6O3/c1-18-15-20(36-27-29-22-17-28-10-9-21(22)26(34)30-27)6-7-23(18)32(3)24-16-19(5-8-25(24)35-4)33-13-11-31(2)12-14-33/h5-10,15-17H,11-14H2,1-4H3,(H,29,30,34)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347139
PNG
(2-(4-((2-ethoxy-5-(4-methylpiperazin-1-yl) phenyl)...)
Show SMILES CCOc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1C)N1CCN(C)CC1
Show InChI InChI=1S/C28H32N6O3/c1-5-36-26-9-6-20(34-14-12-32(3)13-15-34)17-25(26)33(4)24-8-7-21(16-19(24)2)37-28-30-23-18-29-11-10-22(23)27(35)31-28/h6-11,16-18H,5,12-15H2,1-4H3,(H,30,31,35)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM347140
PNG
(2-(4-(methyl(2-methyl-5-(4- methylpiperazin-1-yl)p...)
Show SMILES CN(c1ccc(Oc2nc(O)c3ccncc3n2)cc1C)c1cc(ccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C27H30N6O2/c1-18-5-6-20(33-13-11-31(3)12-14-33)16-25(18)32(4)24-8-7-21(15-19(24)2)35-27-29-23-17-28-10-9-22(23)26(34)30-27/h5-10,15-17H,11-14H2,1-4H3,(H,29,30,34)
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 ...


US Patent US10202381 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GBM
More data for this
Ligand-Target Pair
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