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Compile Data Set for Download or QSAR

Found 562 hits with Last Name = 'washio' and Initial = 'y'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8411
PNG
(4-{[3-(4-nitrophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)N(=O)=O)cc1
Show InChI InChI=1S/C15H13N5O4S/c16-25(23,24)13-7-3-11(4-8-13)17-15-9-14(18-19-15)10-1-5-12(6-2-10)20(21)22/h1-9H,(H2,16,23,24)(H2,17,18,19)
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n/an/a 0.330n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8399
PNG
(4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
Show InChI InChI=1S/C15H15N5O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,16H2,(H2,17,21,22)(H2,18,19,20)
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n/an/a 0.340n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17792
PNG
(benzimidazole-urea, 20 | methyl N-[6-(4-{[(3-bromo...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C22H18BrN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17795
PNG
(benzimidazole-urea, 23 | methyl N-(6-{4-[({3-[(tri...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4S/c1-34-22(33)31-20-29-18-10-9-16(12-19(18)30-20)35-15-7-5-13(6-8-15)27-21(32)28-14-3-2-4-17(11-14)36-23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 1.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17824
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
Show InChI InChI=1S/C28H27F4N7O3/c1-38-10-12-39(13-11-38)16-25(40)37-26-34-22-9-7-20(15-24(22)35-26)42-19-5-3-18(4-6-19)33-27(41)36-23-14-17(28(30,31)32)2-8-21(23)29/h2-9,14-15H,10-13,16H2,1H3,(H2,33,36,41)(H2,34,35,37,40)
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n/an/a 1.5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17813
PNG
(benzthiazole-urea, 40 | methyl N-{6-[4-({[2-fluoro...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
Show InChI InChI=1S/C23H16F4N4O4S/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 2.10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17816
PNG
(imidazopyridine-urea, 43 | methyl N-{5-[4-({[2-flu...)
Show SMILES COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2[nH]1
Show InChI InChI=1S/C22H16F4N6O4/c1-35-21(34)32-19-28-15-8-9-17(30-18(15)31-19)36-13-5-3-12(4-6-13)27-20(33)29-16-10-11(22(24,25)26)2-7-14(16)23/h2-10H,1H3,(H2,27,29,33)(H2,28,30,31,32,34)
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n/an/a 2.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514606
PNG
(CHEMBL4517539)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(CC)ccc1O2 |r|
Show InChI InChI=1S/C26H30N4O4/c1-3-17-8-9-22-20(14-17)21(28-24(31)19-7-5-6-18-16-27-29-23(18)19)15-26(34-22)10-12-30(13-11-26)25(32)33-4-2/h5-9,14,16,21H,3-4,10-13,15H2,1-2H3,(H,27,29)(H,28,31)/t21-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17806
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33)
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n/an/a 2.60n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17806
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33)
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n/an/a 2.60n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17791
PNG
(benzimidazole-urea, 19 | methyl N-[6-(4-{[(3-ethyl...)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1
Show InChI InChI=1S/C24H23N5O4/c1-3-15-5-4-6-17(13-15)26-23(30)25-16-7-9-18(10-8-16)33-19-11-12-20-21(14-19)28-22(27-20)29-24(31)32-2/h4-14H,3H2,1-2H3,(H2,25,26,30)(H2,27,28,29,31)
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n/an/a 2.90n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17805
PNG
(N-(6-{[6-({[2-fluoro-5-(trifluoromethyl)phenyl]car...)
Show SMILES CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)nc3)cc2[nH]1
Show InChI InChI=1S/C22H16F4N6O3/c1-11(33)28-20-29-16-6-3-13(9-18(16)30-20)35-14-4-7-19(27-10-14)32-21(34)31-17-8-12(22(24,25)26)2-5-15(17)23/h2-10H,1H3,(H2,27,31,32,34)(H2,28,29,30,33)
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n/an/a 2.90n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17823
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C26H23F4N5O5/c1-38-10-11-39-14-23(36)35-24-32-20-9-7-18(13-22(20)33-24)40-17-5-3-16(4-6-17)31-25(37)34-21-12-15(26(28,29)30)2-8-19(21)27/h2-9,12-13H,10-11,14H2,1H3,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 3n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17790
PNG
(benzimidazole-urea, 18 | methyl N-{6-[4-({[2-chlor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17ClF3N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 3.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17815
PNG
(imidazopyridine-urea,42 | methyl N-{6-[4-({[2-fluo...)
Show SMILES COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)31-19-12-32-11-16(7-9-20(32)30-19)36-15-5-3-14(4-6-15)28-21(33)29-18-10-13(23(25,26)27)2-8-17(18)24/h2-12H,1H3,(H,31,34)(H2,28,29,33)
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n/an/a 3.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17815
PNG
(imidazopyridine-urea,42 | methyl N-{6-[4-({[2-fluo...)
Show SMILES COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)31-19-12-32-11-16(7-9-20(32)30-19)36-15-5-3-14(4-6-15)28-21(33)29-18-10-13(23(25,26)27)2-8-17(18)24/h2-12H,1H3,(H,31,34)(H2,28,29,33)
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n/an/a 3.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17789
PNG
(benzimidazole-urea, 17 | methyl N-{6-[4-({[2-fluor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 3.5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514614
PNG
(CHEMBL4533779)
Show SMILES COC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C23H23BrN4O4/c1-31-22(30)28-9-7-23(8-10-28)12-18(17-11-15(24)5-6-19(17)32-23)26-21(29)16-4-2-3-14-13-25-27-20(14)16/h2-6,11,13,18H,7-10,12H2,1H3,(H,25,27)(H,26,29)/t18-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514621
PNG
(CHEMBL4443475)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3OCC(=O)Nc13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C25H26BrN3O6/c1-2-33-24(32)29-10-8-25(9-11-29)13-18(17-12-15(26)6-7-19(17)35-25)27-23(31)16-4-3-5-20-22(16)28-21(30)14-34-20/h3-7,12,18H,2,8-11,13-14H2,1H3,(H,27,31)(H,28,30)/t18-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17814
PNG
(benzoxazole-urea, 41 | methyl N-{6-[4-({[2-fluoro-...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2o1
Show InChI InChI=1S/C23H16F4N4O5/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 4.80n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514615
PNG
(CHEMBL4520765)
Show SMILES CC(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C25H27BrN4O4/c1-15(2)33-24(32)30-10-8-25(9-11-30)13-20(19-12-17(26)6-7-21(19)34-25)28-23(31)18-5-3-4-16-14-27-29-22(16)18/h3-7,12,14-15,20H,8-11,13H2,1-2H3,(H,27,29)(H,28,31)/t20-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17824
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
Show InChI InChI=1S/C28H27F4N7O3/c1-38-10-12-39(13-11-38)16-25(40)37-26-34-22-9-7-20(15-24(22)35-26)42-19-5-3-18(4-6-19)33-27(41)36-23-14-17(28(30,31)32)2-8-21(23)29/h2-9,14-15H,10-13,16H2,1H3,(H2,33,36,41)(H2,34,35,37,40)
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n/an/a 4.90n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17788
PNG
(benzimidazole-urea, 16 | methyl N-{6-[4-({[3-(trif...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4/c1-34-22(33)31-20-29-18-10-9-17(12-19(18)30-20)35-16-7-5-14(6-8-16)27-21(32)28-15-4-2-3-13(11-15)23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17821
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccco4)[nH]c3c2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 5.10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17821
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccco4)[nH]c3c2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 5.20n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17788
PNG
(benzimidazole-urea, 16 | methyl N-{6-[4-({[3-(trif...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4/c1-34-22(33)31-20-29-18-10-9-17(12-19(18)30-20)35-16-7-5-14(6-8-16)27-21(32)28-15-4-2-3-13(11-15)23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 5.20n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514603
PNG
(CHEMBL4550298)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17823
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C26H23F4N5O5/c1-38-10-11-39-14-23(36)35-24-32-20-9-7-18(13-22(20)33-24)40-17-5-3-16(4-6-17)31-25(37)34-21-12-15(26(28,29)30)2-8-19(21)27/h2-9,12-13H,10-11,14H2,1H3,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 5.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17817
PNG
(imidazopyridine-urea, 44 | methyl N-{6-[4-({[2-flu...)
Show SMILES COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C22H16F4N6O4/c1-35-21(34)32-19-29-17-9-14(10-27-18(17)31-19)36-13-5-3-12(4-6-13)28-20(33)30-16-8-11(22(24,25)26)2-7-15(16)23/h2-10H,1H3,(H2,28,30,33)(H2,27,29,31,32,34)
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n/an/a 5.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17796
PNG
(benzimidazole-urea, 24 | methyl N-{6-[4-({[3-(meth...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C23H21N5O4S/c1-31-23(30)28-21-26-19-11-10-17(13-20(19)27-21)32-16-8-6-14(7-9-16)24-22(29)25-15-4-3-5-18(12-15)33-2/h3-13H,1-2H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 5.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17816
PNG
(imidazopyridine-urea, 43 | methyl N-{5-[4-({[2-flu...)
Show SMILES COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2[nH]1
Show InChI InChI=1S/C22H16F4N6O4/c1-35-21(34)32-19-28-15-8-9-17(30-18(15)31-19)36-13-5-3-12(4-6-13)27-20(33)29-16-10-11(22(24,25)26)2-7-14(16)23/h2-10H,1H3,(H2,27,29,33)(H2,28,30,31,32,34)
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n/an/a 5.60n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514623
PNG
(CHEMBL4457477)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cc[nH]c13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C25H26BrN3O4/c1-2-32-24(31)29-12-9-25(10-13-29)15-20(19-14-17(26)6-7-21(19)33-25)28-23(30)18-5-3-4-16-8-11-27-22(16)18/h3-8,11,14,20,27H,2,9-10,12-13,15H2,1H3,(H,28,30)/t20-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17790
PNG
(benzimidazole-urea, 18 | methyl N-{6-[4-({[2-chlor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17ClF3N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 6.30n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17793
PNG
(benzimidazole-urea, 21 | methyl N-[6-(4-{[(3-chlor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C22H18ClN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 6.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514613
PNG
(CHEMBL4459934)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1nc(OC)ccc1O2 |r|
Show InChI InChI=1S/C24H27N5O5/c1-3-33-23(31)29-11-9-24(10-12-29)13-17(21-18(34-24)7-8-19(27-21)32-2)26-22(30)16-6-4-5-15-14-25-28-20(15)16/h4-8,14,17H,3,9-13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17813
PNG
(benzthiazole-urea, 40 | methyl N-{6-[4-({[2-fluoro...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
Show InChI InChI=1S/C23H16F4N4O4S/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 6.5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17789
PNG
(benzimidazole-urea, 17 | methyl N-{6-[4-({[2-fluor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 6.90n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17794
PNG
(benzimidazole-urea, 22 | methyl N-[6-(4-{[(2,5-dif...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)cc2[nH]1
Show InChI InChI=1S/C22H17F2N5O4/c1-32-22(31)29-20-26-17-9-7-15(11-19(17)27-20)33-14-5-3-13(4-6-14)25-21(30)28-18-10-12(23)2-8-16(18)24/h2-11H,1H3,(H2,25,28,30)(H2,26,27,29,31)
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n/an/a 7.60n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514603
PNG
(CHEMBL4550298)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514625
PNG
(CHEMBL4521139)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(OC)ccc1O2 |r|
Show InChI InChI=1S/C25H28N4O5/c1-3-33-24(31)29-11-9-25(10-12-29)14-20(19-13-17(32-2)7-8-21(19)34-25)27-23(30)18-6-4-5-16-15-26-28-22(16)18/h4-8,13,15,20H,3,9-12,14H2,1-2H3,(H,26,28)(H,27,30)/t20-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17814
PNG
(benzoxazole-urea, 41 | methyl N-{6-[4-({[2-fluoro-...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2o1
Show InChI InChI=1S/C23H16F4N4O5/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 8.90n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514620
PNG
(CHEMBL4529084)
Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3CC(=O)Nc13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C25H26BrN3O5/c1-2-33-24(32)29-10-8-25(9-11-29)14-19(18-13-16(26)6-7-20(18)34-25)27-23(31)17-5-3-4-15-12-21(30)28-22(15)17/h3-7,13,19H,2,8-12,14H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
BindingDB Entry DOI: 10.7270/Q2M33045
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8401
PNG
(4-{[3-(3-hydroxyphenyl)-1H-pyrazol-5-yl]amino}benz...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)13-6-4-11(5-7-13)17-15-9-14(18-19-15)10-2-1-3-12(20)8-10/h1-9,20H,(H2,16,21,22)(H2,17,18,19)
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n/an/a 9.10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17807
PNG
(benzimidazole-urea, 34 | methyl N-(6-{[4-({[2-fluo...)
Show SMILES COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8397
PNG
(4-{[3-(4-bromophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H13BrN4O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
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n/an/a 10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50118668
PNG
(CHEMBL3617086)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...

J Med Chem 58: 7140-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17807
PNG
(benzimidazole-urea, 34 | methyl N-(6-{[4-({[2-fluo...)
Show SMILES COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17795
PNG
(benzimidazole-urea, 23 | methyl N-(6-{4-[({3-[(tri...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4S/c1-34-22(33)31-20-29-18-10-9-16(12-19(18)30-20)35-15-7-5-13(6-8-15)27-21(32)28-14-3-2-4-17(11-14)36-23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 10n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8402
PNG
(4-{[3-(3-methanesulfonamidophenyl)-1H-pyrazol-5-yl...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
Show InChI InChI=1S/C16H17N5O4S2/c1-26(22,23)21-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)27(17,24)25/h2-10,21H,1H3,(H2,17,24,25)(H2,18,19,20)
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n/an/a 10.7n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8404
PNG
(4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
Show InChI InChI=1S/C21H19N5O4S2/c22-31(27,28)18-11-9-16(10-12-18)23-21-14-20(24-25-21)15-5-4-6-17(13-15)26-32(29,30)19-7-2-1-3-8-19/h1-14,26H,(H2,22,27,28)(H2,23,24,25)
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n/an/a 10.7n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
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