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Compile Data Set for Download or QSAR

Found 2650 hits with Last Name = 'read' and Initial = 'j'   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17689
PNG
(2-aminobenzimidazole, 14 | N-{4-chloro-3-[(4-methy...)
Show SMILES COc1cc2nccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C30H31ClN6O3/c1-36-10-12-37(13-11-36)18-19-14-20(4-6-23(19)31)33-30-34-24-7-5-21(15-26(24)35-30)40-27-8-9-32-25-17-29(39-3)28(38-2)16-22(25)27/h4-9,14-17H,10-13,18H2,1-3H3,(H2,33,34,35)
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0.200 -54.8n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17703
PNG
(2-aminobenzoxazole, 28 | N-(4-chloro-3-{[(2S)-1-me...)
Show SMILES COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC
Show InChI InChI=1S/C29H28ClN5O5/c1-35-10-4-5-18(35)15-38-25-11-17(6-8-21(25)30)33-29-34-23-12-19(7-9-24(23)40-29)39-28-20-13-26(36-2)27(37-3)14-22(20)31-16-32-28/h6-9,11-14,16,18H,4-5,10,15H2,1-3H3,(H,33,34)/t18-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17704
PNG
(2-aminobenzoxazole, 29 | N-(4-chloro-3-{[(2S)-1-me...)
Show SMILES COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC
Show InChI InChI=1S/C30H29ClN4O5/c1-35-12-4-5-19(35)17-38-27-13-18(6-8-22(27)31)33-30-34-24-14-20(7-9-26(24)40-30)39-25-10-11-32-23-16-29(37-3)28(36-2)15-21(23)25/h6-11,13-16,19H,4-5,12,17H2,1-3H3,(H,33,34)/t19-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17705
PNG
(2-aminobenzoxazole, 30 | N-{4-chloro-3-[(4-methylp...)
Show SMILES COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)nc4c3)c2cc1OC
Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)18-19-14-20(4-6-23(19)31)33-30-34-25-15-21(5-7-27(25)40-30)39-26-8-9-32-24-17-29(38-3)28(37-2)16-22(24)26/h4-9,14-17H,10-13,18H2,1-3H3,(H,33,34)
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433602
PNG
(CHEMBL2381980)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cn1
Show InChI InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50425950
PNG
(CHEMBL2311561 | Isoniazid-NAD)
Show SMILES NC(=O)C1=CN(C=C[C@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1
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0.75n/an/an/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis inhA


J Med Chem 56: 8533-42 (2013)


Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17687
PNG
(2-aminobenzimidazole, 12 | N-(3-{[(2R)-1-methylpyr...)
Show SMILES CN1CCC[C@@H]1COc1cc(Nc2nc3ccc(Oc4ccnc5ccccc45)cc3[nH]2)ccc1C(F)(F)F
Show InChI InChI=1S/C29H26F3N5O2/c1-37-14-4-5-19(37)17-38-27-15-18(8-10-22(27)29(30,31)32)34-28-35-24-11-9-20(16-25(24)36-28)39-26-12-13-33-23-7-3-2-6-21(23)26/h2-3,6-13,15-16,19H,4-5,14,17H2,1H3,(H2,34,35,36)/t19-/m1/s1
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1 -50.9n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433601
PNG
(CHEMBL2381983)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cc1F
Show InChI InChI=1S/C19H21F3N8O/c1-10-7-14(29-28-10)25-19-26-17(15(22)18(27-19)30-3-5-31-6-4-30)24-11(2)16-13(21)8-12(20)9-23-16/h7-9,11H,3-6H2,1-2H3,(H3,24,25,26,27,28,29)/t11-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17709
PNG
(2-aminobenzoxazole, 34 | N-(4-chloro-3-{[(2S)-1-me...)
Show SMILES CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc45)ccc3o2)ccc1Cl
Show InChI InChI=1S/C26H24ClN5O3/c1-32-12-2-3-17(32)15-33-24-13-16(4-6-20(24)27)30-26-31-21-14-18(5-7-23(21)35-26)34-22-9-11-29-25-19(22)8-10-28-25/h4-11,13-14,17H,2-3,12,15H2,1H3,(H,28,29)(H,30,31)/t17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50222500
PNG
(CHEMBL250482 | N-(4-cyclohexylphenyl)-2-(pyridin-4...)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)c1cccnc1NCc1ccncc1
Show InChI InChI=1S/C24H26N4O/c29-24(28-21-10-8-20(9-11-21)19-5-2-1-3-6-19)22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18/h4,7-16,19H,1-3,5-6,17H2,(H,26,27)(H,28,29)
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2n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17688
PNG
(2-aminobenzimidazole, 13 | N-{4-chloro-3-[(4-methy...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6ccccc56)cc4[nH]3)ccc2Cl)CC1
Show InChI InChI=1S/C28H27ClN6O/c1-34-12-14-35(15-13-34)18-19-16-20(6-8-23(19)29)31-28-32-25-9-7-21(17-26(25)33-28)36-27-10-11-30-24-5-3-2-4-22(24)27/h2-11,16-17H,12-15,18H2,1H3,(H2,31,32,33)
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2 -49.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17684
PNG
(2-aminobenzimidazole, 9 | N-methyl-4-({2-[(3-{[(2R...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C27H27F3N6O3/c1-31-25(37)23-14-19(9-10-32-23)39-18-6-8-21-22(13-18)35-26(34-21)33-16-5-7-20(27(28,29)30)24(12-16)38-15-17-4-3-11-36(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,31,37)(H2,33,34,35)/t17-/m1/s1
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2 -49.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50222499
PNG
(CHEMBL401153 | N-(3-chlorophenyl)-2-(pyridin-4-ylm...)
Show SMILES Clc1cccc(NC(=O)c2cccnc2NCc2ccncc2)c1
Show InChI InChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24)
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2n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17713
PNG
(2-aminobenzoxazole, 38 | 7-chloro-N-{4-chloro-3-[(...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)cc(Cl)c4o3)ccc2Cl)CC1
Show InChI InChI=1S/C28H25Cl2N5O2/c1-34-10-12-35(13-11-34)17-18-14-19(6-7-22(18)29)32-28-33-25-16-20(15-23(30)27(25)37-28)36-26-8-9-31-24-5-3-2-4-21(24)26/h2-9,14-16H,10-13,17H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17710
PNG
(2-aminobenzoxazole, 35 | N-{4-chloro-3-[(4-methylp...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6[nH]ccc56)ccc4o3)ccc2Cl)CC1
Show InChI InChI=1S/C26H25ClN6O2/c1-32-10-12-33(13-11-32)16-17-14-18(2-4-21(17)27)30-26-31-22-15-19(3-5-24(22)35-26)34-23-7-9-29-25-20(23)6-8-28-25/h2-9,14-15H,10-13,16H2,1H3,(H,28,29)(H,30,31)
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2n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17697
PNG
(2-aminobenzoxazole, 22 | 4-({2-[(4-chloro-3-{[(2S)...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1
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2.80 -48.3 4.60n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17683
PNG
(2-aminobenzimidazole, 8 | 4-{[2-({3-[2-(dimethylam...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OCCN(C)C)c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C25H25F3N6O3/c1-29-23(35)21-14-17(8-9-30-21)37-16-5-7-19-20(13-16)33-24(32-19)31-15-4-6-18(25(26,27)28)22(12-15)36-11-10-34(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,29,35)(H2,31,32,33)
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3 -48.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17702
PNG
(2-aminobenzoxazole, 27 | 4-({2-[(4-chloro-3-{[(2S)...)
Show SMILES CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3o2)ccc1Cl
Show InChI InChI=1S/C25H24ClN5O4/c1-31-10-2-3-16(31)14-33-23-11-15(4-6-19(23)26)29-25-30-20-12-17(5-7-22(20)35-25)34-18-8-9-28-21(13-18)24(27)32/h4-9,11-13,16H,2-3,10,14H2,1H3,(H2,27,32)(H,29,30)/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17701
PNG
(2-aminobenzoxazole, 26 | 4-[(2-{[4-chloro-3-(piper...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(8-11-30-22)35-18-3-5-23-21(13-18)32-26(36-23)31-17-2-4-20(27)24(12-17)34-15-16-6-9-29-10-7-16/h2-5,8,11-14,16,29H,6-7,9-10,15H2,1H3,(H,28,33)(H,31,32)
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3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17711
PNG
(2-aminobenzoxazole, 36 | 4-({2-[(4-chloro-3-{[(2S)...)
Show SMILES CNC(=O)c1cc(Oc2cc(F)c3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H25ClFN5O4/c1-29-25(34)22-12-17(7-8-30-22)36-18-11-20(28)24-21(13-18)32-26(37-24)31-15-5-6-19(27)23(10-15)35-14-16-4-3-9-33(16)2/h5-8,10-13,16H,3-4,9,14H2,1-2H3,(H,29,34)(H,31,32)/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17691
PNG
(2-aminobenzimidazole, 16 | N-{4-chloro-3-[(4-methy...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1
Show InChI InChI=1S/C26H26ClN7O/c1-33-10-12-34(13-11-33)16-17-14-18(2-4-21(17)27)30-26-31-22-5-3-19(15-23(22)32-26)35-24-7-9-29-25-20(24)6-8-28-25/h2-9,14-15H,10-13,16H2,1H3,(H,28,29)(H2,30,31,32)
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3 -48.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17706
PNG
(2-aminobenzoxazole, 31 | N-{4-chloro-3-[(4-methylp...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)ccc4o3)ccc2Cl)CC1
Show InChI InChI=1S/C28H26ClN5O2/c1-33-12-14-34(15-13-33)18-19-16-20(6-8-23(19)29)31-28-32-25-17-21(7-9-27(25)36-28)35-26-10-11-30-24-5-3-2-4-22(24)26/h2-11,16-17H,12-15,18H2,1H3,(H,31,32)
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3.60n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17682
PNG
(2-aminobenzimidazole, 7 | 4-{[2-({4-chloro-3-[(4-m...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)ccn1
Show InChI InChI=1S/C26H28ClN7O2/c1-28-25(35)24-15-20(7-8-29-24)36-19-4-6-22-23(14-19)32-26(31-22)30-18-3-5-21(27)17(13-18)16-34-11-9-33(2)10-12-34/h3-8,13-15H,9-12,16H2,1-2H3,(H,28,35)(H2,30,31,32)
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3.90 -47.5n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17695
PNG
(2-aminobenzoxazole, 20 | 4-{[2-({4-chloro-3-[(4-me...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H27ClN6O3/c1-28-25(34)23-15-20(7-8-29-23)35-19-4-6-24-22(14-19)31-26(36-24)30-18-3-5-21(27)17(13-18)16-33-11-9-32(2)10-12-33/h3-8,13-15H,9-12,16H2,1-2H3,(H,28,34)(H,30,31)
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4 -47.5n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50222501
PNG
(CHEMBL250684 | N-(4-chloro-3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cccnc2NCc2ccncc2)ccc1Cl
Show InChI InChI=1S/C19H14ClF3N4O/c20-16-4-3-13(10-15(16)19(21,22)23)27-18(28)14-2-1-7-25-17(14)26-11-12-5-8-24-9-6-12/h1-10H,11H2,(H,25,26)(H,27,28)
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4n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17700
PNG
(2-aminobenzoxazole, 25 | 4-[(2-{[4-chloro-3-(morph...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCOCC5)c4)nc3c2)ccn1
Show InChI InChI=1S/C25H24ClN5O4/c1-27-24(32)22-14-19(6-7-28-22)34-18-3-5-23-21(13-18)30-25(35-23)29-17-2-4-20(26)16(12-17)15-31-8-10-33-11-9-31/h2-7,12-14H,8-11,15H2,1H3,(H,27,32)(H,29,30)
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4n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17698
PNG
(2-aminobenzoxazole, 23 | 4-{[2-({4-chloro-3-[2-(di...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCCN(C)C)c4)nc3c2)ccn1
Show InChI InChI=1S/C24H24ClN5O4/c1-26-23(31)20-14-17(8-9-27-20)33-16-5-7-21-19(13-16)29-24(34-21)28-15-4-6-18(25)22(12-15)32-11-10-30(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,31)(H,28,29)
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4n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17699
PNG
(2-aminobenzoxazole, 24 | 4-{[2-({4-chloro-3-[2-(di...)
Show SMILES CCN(CC)CCOc1cc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)ccc1Cl
Show InChI InChI=1S/C26H28ClN5O4/c1-4-32(5-2)12-13-34-24-14-17(6-8-20(24)27)30-26-31-21-15-18(7-9-23(21)36-26)35-19-10-11-29-22(16-19)25(33)28-3/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,28,33)(H,30,31)
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5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17680
PNG
(2-aminobenzimidazole, 5 | N-(4-chlorophenyl)-5-[(6...)
Show SMILES COc1cc2ncnc(Oc3ccc4nc(Nc5ccc(Cl)cc5)[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C23H18ClN5O3/c1-30-20-10-16-18(11-21(20)31-2)25-12-26-22(16)32-15-7-8-17-19(9-15)29-23(28-17)27-14-5-3-13(24)4-6-14/h3-12H,1-2H3,(H2,27,28,29)
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8 -45.7n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50222509
PNG
(CHEMBL250228 | N-(4-chlorophenyl)-2-(pyridin-4-ylm...)
Show SMILES Clc1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1
Show InChI InChI=1S/C18H15ClN4O/c19-14-3-5-15(6-4-14)23-18(24)16-2-1-9-21-17(16)22-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,21,22)(H,23,24)
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8n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of unphosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50222498
PNG
(CHEMBL400512 | N-(3,5-bis(trifluoromethyl)phenyl)-...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cccnc2NCc2ccncc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H14F6N4O/c21-19(22,23)13-8-14(20(24,25)26)10-15(9-13)30-18(31)16-2-1-5-28-17(16)29-11-12-3-6-27-7-4-12/h1-10H,11H2,(H,28,29)(H,30,31)
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8n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17685
PNG
(2-aminobenzimidazole, 10 | N-methyl-4-({2-[(3-{[(2...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C28H27F5N6O3/c1-34-25(40)23-14-19(9-10-35-23)42-18-6-8-21-22(13-18)38-26(37-21)36-16-5-7-20(27(29,30)28(31,32)33)24(12-16)41-15-17-4-3-11-39(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,34,40)(H2,36,37,38)/t17-/m1/s1
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9 -45.5n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50222512
PNG
(2-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15F3N4O/c20-19(21,22)14-3-5-15(6-4-14)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27)
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9n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17678
PNG
(2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)
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9 -45.5n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17694
PNG
(2-aminobenzimidazole, 19 | 4-{[2-({4-chloro-3-[(4-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
Show InChI InChI=1S/C27H30ClN7O2/c1-29-26(36)24-16-21(8-9-30-24)37-20-5-7-25-23(15-20)32-27(34(25)3)31-19-4-6-22(28)18(14-19)17-35-12-10-33(2)11-13-35/h4-9,14-16H,10-13,17H2,1-3H3,(H,29,36)(H,31,32)
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10 -45.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM15019
PNG
(CHEMBL385178 | N-(4-phenoxyphenyl)-2-[(pyridin-4-y...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1
Show InChI InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29)
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10n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 1B/1D receptor


(RAT)
BDBM50217225
PNG
(CHEMBL98434)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


Article DOI: 10.1016/s0960-894x(98)00728-8
BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17712
PNG
(2-aminobenzoxazole, 37 | 4-{[7-chloro-2-({4-chloro...)
Show SMILES CNC(=O)c1cc(Oc2cc(Cl)c3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H26Cl2N6O3/c1-29-25(35)23-13-18(5-6-30-23)36-19-12-21(28)24-22(14-19)32-26(37-24)31-17-3-4-20(27)16(11-17)15-34-9-7-33(2)8-10-34/h3-6,11-14H,7-10,15H2,1-2H3,(H,29,35)(H,31,32)
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10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(RAT)
BDBM50217230
PNG
(CHEMBL95387)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


Article DOI: 10.1016/s0960-894x(98)00728-8
BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433595
PNG
(CHEMBL2381827)
Show SMILES CCCC(Nc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H29F3N4O3/c1-4-5-22(18-6-8-19(9-7-18)25(36)30-11-10-23(34)35)32-21-12-16(2)24(17(3)13-21)33-15-20(14-31-33)26(27,28)29/h6-9,12-15,22,32H,4-5,10-11H2,1-3H3,(H,30,36)(H,34,35)
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17696
PNG
(2-aminobenzoxazole, 21 | 4-({2-[(4-chlorophenyl)am...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)cc4)nc3c2)ccn1
Show InChI InChI=1S/C20H15ClN4O3/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25)
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12 -44.8n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(RAT)
BDBM50217226
PNG
(CHEMBL318906)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


Article DOI: 10.1016/s0960-894x(98)00728-8
BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(RAT)
BDBM50217210
PNG
(CHEMBL38918)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


Article DOI: 10.1016/s0960-894x(98)00728-8
BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433577
PNG
(CHEMBL2381848)
Show SMILES CCC[C@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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15n/an/an/an/an/an/an/an/a



Amgen

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated-Kdr after 30 mins


Bioorg Med Chem Lett 17: 6003-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(RAT)
BDBM50217211
PNG
(CHEMBL318022)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
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16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


Article DOI: 10.1016/s0960-894x(98)00728-8
BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(RAT)
BDBM50217182
PNG
(CHEMBL318882)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccsc3Cl)c2c1
Show InChI InChI=1S/C18H18ClNO4S/c1-9(21)10-4-5-13-12(8-10)14(15(22)18(2,3)24-13)20-17(23)11-6-7-25-16(11)19/h4-8,14-15,22H,1-3H3,(H,20,23)/t14-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


Article DOI: 10.1016/s0960-894x(98)00728-8
BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17690
PNG
(2-aminobenzimidazole, 15 | N-{4-chloro-3-[(4-methy...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ncnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1
Show InChI InChI=1S/C25H25ClN8O/c1-33-8-10-34(11-9-33)14-16-12-17(2-4-20(16)26)30-25-31-21-5-3-18(13-22(21)32-25)35-24-19-6-7-27-23(19)28-15-29-24/h2-7,12-13,15H,8-11,14H2,1H3,(H,27,28,29)(H2,30,31,32)
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17 -43.9n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
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