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Compile Data Set for Download or QSAR

Found 1115 hits with Last Name = 'pease' and Initial = 'l'   
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
HDACs


(Homo sapiens (Human))
BDBM50221964
PNG
(CHEMBL114184)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
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n/an/a 0.0200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3331-5 (2003)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106026
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-3-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(10-11-27-18)28(24,25)15-7-5-13(6-8-15)26-14-4-3-9-19-12-14/h3-9,12,16,23H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.0480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221943
PNG
(CHEMBL432618)
Show SMILES COC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
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n/an/a 0.0620n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3331-5 (2003)

More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221809
PNG
(CHEMBL321689)
Show SMILES COC(=O)C(=O)CCCCCOc1ccc(cc1)-c1ccccc1
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n/an/a 0.0820n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3331-5 (2003)

More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221786
PNG
(CHEMBL432243)
Show SMILES COC(=O)C(=O)CCCCCCCOc1ccc(cc1)-c1ccccc1
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n/an/a 0.109n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3331-5 (2003)

More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221965
PNG
(CHEMBL113303)
Show SMILES CNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
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n/an/a 0.110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3331-5 (2003)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106028
PNG
((7S,8R,11S)-8-(3-naphthalen-1-yl-propyl)-9-oxo-2-o...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3cccc4ccccc34)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C31H37N3O5/c1-32-31(37)28-20-21-15-17-24(18-16-21)39-19-5-4-13-27(30(36)34-38)26(29(35)33-28)14-7-11-23-10-6-9-22-8-2-3-12-25(22)23/h2-3,6,8-10,12,15-18,26-28,38H,4-5,7,11,13-14,19-20H2,1H3,(H,32,37)(H,33,35)(H,34,36)/t26-,27+,28+/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106022
PNG
((7S,8R,11S)-8-[3-(4-chloro-phenyl)-propyl]-9-oxo-2...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(Cl)cc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C27H34ClN3O5/c1-29-27(34)24-17-19-10-14-21(15-11-19)36-16-3-2-6-23(26(33)31-35)22(25(32)30-24)7-4-5-18-8-12-20(28)13-9-18/h8-15,22-24,35H,2-7,16-17H2,1H3,(H,29,34)(H,30,32)(H,31,33)/t22-,23+,24+/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2C828MX
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))
BDBM50372144
PNG
(CHEMBL272938)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(9-12)24-20(27)23-14-7-5-13(6-8-14)16-10-22-11-17-18(16)19(21)26-25-17/h2-11H,1H3,(H3,21,25,26)(H2,23,24,27)
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n/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372140
PNG
(CHEMBL404669)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-8-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-9-23-10-17-18(15)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372140
PNG
(CHEMBL404669)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-8-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-9-23-10-17-18(15)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50243417
PNG
(1-{4-[7-Amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cnc3c(ccn3c2N)-c2cnn(C)c2)c1
Show InChI InChI=1S/C25H23N7O/c1-16-4-3-5-20(12-16)30-25(33)29-19-8-6-17(7-9-19)22-14-27-24-21(10-11-32(24)23(22)26)18-13-28-31(2)15-18/h3-15H,26H2,1-2H3,(H2,29,30,33)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells by ELISA


J Med Chem 51: 3777-87 (2008)


Article DOI: 10.1021/jm701397k
BindingDB Entry DOI: 10.7270/Q22R3RFW
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))
BDBM50372144
PNG
(CHEMBL272938)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(9-12)24-20(27)23-14-7-5-13(6-8-14)16-10-22-11-17-18(16)19(21)26-25-17/h2-11H,1H3,(H3,21,25,26)(H2,23,24,27)
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106016
PNG
((7S,8R,11S)-8-[3-(4-ethoxy-phenyl)-propyl]-9-oxo-2...)
Show SMILES CCOc1ccc(CCC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1
Show InChI InChI=1S/C29H39N3O6/c1-3-37-22-14-10-20(11-15-22)7-6-9-24-25(28(34)32-36)8-4-5-18-38-23-16-12-21(13-17-23)19-26(29(35)30-2)31-27(24)33/h10-17,24-26,36H,3-9,18-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
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n/an/a 0.790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2C828MX
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))
BDBM50381713
PNG
(CHEMBL2022853)
Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H23FN6O3S2/c1-38(35,36)10-9-33-14-17(12-30-33)21-13-29-25(28)23-22(15-37-24(21)23)16-5-7-19(8-6-16)31-26(34)32-20-4-2-3-18(27)11-20/h2-8,11-15H,9-10H2,1H3,(H2,28,29)(H2,31,32,34)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
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))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50381696
PNG
(CHEMBL2021941)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]c2)c1
Show InChI InChI=1S/C25H21N5OS/c1-15-3-2-4-19(11-15)30-25(31)29-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-27-12-17)13-28-24(26)22(21)23/h2-14,27H,1H3,(H2,26,28)(H2,29,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381719
PNG
(CHEMBL2022856)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C26H23FN6O2S/c1-15(34)12-33-13-17(10-30-33)21-11-29-25(28)23-22(14-36-24(21)23)16-5-7-19(8-6-16)31-26(35)32-20-4-2-3-18(27)9-20/h2-11,13-15,34H,12H2,1H3,(H2,28,29)(H2,31,32,35)/t15-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
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))
BDBM50381693
PNG
(CHEMBL2023221)
Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
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))
BDBM50201303
PNG
(1-(4-(4-amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyrid...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cncnc2)c1
Show InChI InChI=1S/C25H20N6OS/c1-15-3-2-4-19(9-15)31-25(32)30-18-7-5-16(6-8-18)21-13-33-23-20(12-29-24(26)22(21)23)17-10-27-14-28-11-17/h2-14H,1H3,(H2,26,29)(H2,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation in NIH3T3 cells


Bioorg Med Chem Lett 17: 1246-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.015
BindingDB Entry DOI: 10.7270/Q28K78RS
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))
BDBM50243360
PNG
(1-{4-[7-Amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cnc3c(cnn3c2N)-c2cnn(C)c2)c1
Show InChI InChI=1S/C24H22N8O/c1-15-4-3-5-19(10-15)30-24(33)29-18-8-6-16(7-9-18)20-12-26-23-21(13-28-32(23)22(20)25)17-11-27-31(2)14-17/h3-14H,25H2,1-2H3,(H2,29,30,33)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells by ELISA


J Med Chem 51: 3777-87 (2008)


Article DOI: 10.1021/jm701397k
BindingDB Entry DOI: 10.7270/Q22R3RFW
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))
BDBM50372154
PNG
(CHEMBL255746)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372150
PNG
(CHEMBL255744)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-12-9-13(2)11-16(10-12)25-21(28)24-15-5-3-14(4-6-15)17-7-8-23-20-18(17)19(22)26-27-20/h3-11H,1-2H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372141
PNG
(CHEMBL256246)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F4N6O/c21-14-6-3-11(20(22,23)24)7-15(14)28-19(31)27-12-4-1-10(2-5-12)13-8-26-9-16-17(13)18(25)30-29-16/h1-9H,(H3,25,29,30)(H2,27,28,31)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372156
PNG
(CHEMBL257479)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(11-12)24-20(27)23-14-7-5-13(6-8-14)16-9-10-22-19-17(16)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372149
PNG
(CHEMBL255743)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H17FN6O/c1-11-2-7-15(21)16(10-11)25-20(28)24-13-5-3-12(4-6-13)14-8-9-23-19-17(14)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372142
PNG
(CHEMBL271441)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cncc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H17FN6O/c1-11-2-7-15(21)16(8-11)25-20(28)24-13-5-3-12(4-6-13)14-9-23-10-17-18(14)19(22)27-26-17/h2-10H,1H3,(H3,22,26,27)(H2,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372150
PNG
(CHEMBL255744)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-12-9-13(2)11-16(10-12)25-21(28)24-15-5-3-14(4-6-15)17-7-8-23-20-18(17)19(22)26-27-20/h3-11H,1-2H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372147
PNG
(CHEMBL273187)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-10-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-8-9-23-19-17(15)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372147
PNG
(CHEMBL273187)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)ccc1F
Show InChI InChI=1S/C20H17FN6O/c1-11-10-14(6-7-16(11)21)25-20(28)24-13-4-2-12(3-5-13)15-8-9-23-19-17(15)18(22)26-27-19/h2-10H,1H3,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372143
PNG
(CHEMBL404342)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(8-12)24-19(27)23-13-6-4-11(5-7-13)15-9-22-10-16-17(15)18(21)26-25-16/h1-10H,(H3,21,25,26)(H2,23,24,27)
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372141
PNG
(CHEMBL256246)
Show SMILES Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F4N6O/c21-14-6-3-11(20(22,23)24)7-15(14)28-19(31)27-12-4-1-10(2-5-12)13-8-26-9-16-17(13)18(25)30-29-16/h1-9H,(H3,25,29,30)(H2,27,28,31)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50079798
PNG
(CHEMBL99661)
Show SMILES CNCC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/t18?,19-,21-,22-;;/m0../s1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2919-23 (2002)

More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221785
PNG
(CHEMBL112984)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc2CCCCc2c1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3331-5 (2003)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50106025
PNG
((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...)
Show SMILES COc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc(OC)c1OC |r|
Show InChI InChI=1S/C22H28N2O8S2/c1-22(2)20(21(25)23-26)24(10-11-33-22)34(27,28)16-8-6-14(7-9-16)32-15-12-17(29-3)19(31-5)18(13-15)30-4/h6-9,12-13,20,26H,10-11H2,1-5H3,(H,23,25)/t20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2C828MX
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))
BDBM50372162
PNG
(CHEMBL404366)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H17ClN6O/c1-27-17-11-23-10-16(18(17)19(22)26-27)12-5-7-14(8-6-12)24-20(28)25-15-4-2-3-13(21)9-15/h2-11H,1H3,(H2,22,26)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372154
PNG
(CHEMBL255746)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)15-8-9-22-18-16(15)17(21)25-26-18/h1-10H,(H2,23,24,27)(H3,21,22,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372145
PNG
(CHEMBL256205)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClFN6O/c20-14-9-12(5-6-15(14)21)25-19(28)24-11-3-1-10(2-4-11)13-7-8-23-18-16(13)17(22)26-27-18/h1-9H,(H2,24,25,28)(H3,22,23,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50372156
PNG
(CHEMBL257479)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C20H18N6O/c1-12-3-2-4-15(11-12)24-20(27)23-14-7-5-13(6-8-14)16-9-10-22-19-17(16)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
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))
BDBM50381698
PNG
(CHEMBL1969102 | US8722890, 6)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50082325
PNG
(CHEMBL99392)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O
Show InChI InChI=1S/C20H19Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8,10,12,16H,7,9H2,1H3,(H,23,27)(H2,28,29,30)/t10-,12?,16?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2919-23 (2002)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381716
PNG
(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)
Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by TR-FRET assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50376343
PNG
(CHEMBL411903)
Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 |c:9|
Show InChI InChI=1S/C21H17F4N7O/c22-14-6-3-12(21(23,24)25)9-16(14)32-20(33)30-13-4-1-11(2-5-13)15-7-8-27-19-17(31-15)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,32,33)(H3,26,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3


Bioorg Med Chem Lett 18: 2691-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50376359
PNG
(CHEMBL260092)
Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3


Bioorg Med Chem Lett 18: 2691-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H
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))
BDBM50381693
PNG
(CHEMBL2023221)
Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
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