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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'ameri' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204859
PNG
(CHEMBL3939483)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)
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490n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured f...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202409
PNG
(US9238644, 16)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C27H31ClN6O/c1-34-14-10-19(11-15-34)23-9-7-20(16-30-23)32-26-31-17-22(28)24(33-26)8-6-18-4-2-3-5-21(18)27(12-13-27)25(29)35/h2-5,7,9,16-17,19H,6,8,10-15H2,1H3,(H2,29,35)(H,31,32,33)
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n/an/a 1n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202417
PNG
(US9238644, 24)
Show SMILES CC(NC(=O)OC(C)(C)C)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1
Show InChI InChI=1S/C29H34ClN5O3/c1-18(33-27(37)38-28(2,3)4)19-9-12-21(13-10-19)34-26-32-17-23(30)24(35-26)14-11-20-7-5-6-8-22(20)29(15-16-29)25(31)36/h5-10,12-13,17-18H,11,14-16H2,1-4H3,(H2,31,36)(H,33,37)(H,32,34,35)
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n/an/a 2n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202463
PNG
(US9238644, 65)
Show SMILES Cn1cc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C21H21F3N6O/c1-30-12-14(10-27-30)28-19-26-11-16(21(22,23)24)17(29-19)7-6-13-4-2-3-5-15(13)20(8-9-20)18(25)31/h2-5,10-12H,6-9H2,1H3,(H2,25,31)(H,26,28,29)
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n/an/a 3n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202476
PNG
(US9238644, 77)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C22H25ClN6O2/c1-31-11-10-29-14-16(12-26-29)27-21-25-13-18(23)19(28-21)7-6-15-4-2-3-5-17(15)22(8-9-22)20(24)30/h2-5,12-14H,6-11H2,1H3,(H2,24,30)(H,25,27,28)
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n/an/a 3n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202440
PNG
(US9238644, 45)
Show SMILES Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C(C)(C)C(N)=O)n2)cn1
Show InChI InChI=1S/C20H23ClN6O/c1-20(2,18(22)28)15-7-5-4-6-13(15)8-9-17-16(21)11-23-19(26-17)25-14-10-24-27(3)12-14/h4-7,10-12H,8-9H2,1-3H3,(H2,22,28)(H,23,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202412
PNG
(US9238644, 19)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl
Show InChI InChI=1S/C19H19ClN6O/c20-15-11-22-18(25-13-9-23-24-10-13)26-16(15)6-5-12-3-1-2-4-14(12)19(7-8-19)17(21)27/h1-4,9-11H,5-8H2,(H2,21,27)(H,23,24)(H,22,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202411
PNG
(US9238644, 18)
Show SMILES CN1CCC(CC1)n1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C25H30ClN7O/c1-32-12-8-19(9-13-32)33-16-18(14-29-33)30-24-28-15-21(26)22(31-24)7-6-17-4-2-3-5-20(17)25(10-11-25)23(27)34/h2-5,14-16,19H,6-13H2,1H3,(H2,27,34)(H,28,30,31)
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n/an/a 3n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202475
PNG
(US9238644, 76)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(CCO)c2)ncc1Cl
Show InChI InChI=1S/C21H23ClN6O2/c22-17-12-24-20(26-15-11-25-28(13-15)9-10-29)27-18(17)6-5-14-3-1-2-4-16(14)21(7-8-21)19(23)30/h1-4,11-13,29H,5-10H2,(H2,23,30)(H,24,26,27)
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n/an/a 4n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202406
PNG
(US9238644, 13)
Show SMILES Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C20H21ClN6O/c1-27-12-14(10-24-27)25-19-23-11-16(21)17(26-19)7-6-13-4-2-3-5-15(13)20(8-9-20)18(22)28/h2-5,10-12H,6-9H2,1H3,(H2,22,28)(H,23,25,26)
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n/an/a 4n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202424
PNG
(US9238644, 30)
Show SMILES CC(C)n1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C22H25ClN6O/c1-14(2)29-13-16(11-26-29)27-21-25-12-18(23)19(28-21)8-7-15-5-3-4-6-17(15)22(9-10-22)20(24)30/h3-6,11-14H,7-10H2,1-2H3,(H2,24,30)(H,25,27,28)
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n/an/a 4n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202409
PNG
(US9238644, 16)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C27H31ClN6O/c1-34-14-10-19(11-15-34)23-9-7-20(16-30-23)32-26-31-17-22(28)24(33-26)8-6-18-4-2-3-5-21(18)27(12-13-27)25(29)35/h2-5,7,9,16-17,19H,6,8,10-15H2,1H3,(H2,29,35)(H,31,32,33)
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n/an/a 4n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202442
PNG
(US9238644, 47)
Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1C1(CC1)C(N)=O
Show InChI InChI=1S/C21H24N6O/c1-14-11-23-20(25-16-12-24-27(2)13-16)26-18(14)8-7-15-5-3-4-6-17(15)21(9-10-21)19(22)28/h3-6,11-13H,7-10H2,1-2H3,(H2,22,28)(H,23,25,26)
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n/an/a 5n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204847
PNG
(CHEMBL3895802)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccco1
Show InChI InChI=1S/C29H24N4O2/c30-26-20-14-7-8-15-21(20)31-28-24(26)23(18-10-3-1-4-11-18)25-27(22-16-9-17-34-22)32-33(29(25)35-28)19-12-5-2-6-13-19/h1-6,9-13,16-17,23H,7-8,14-15H2,(H2,30,31)
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n/an/a 5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202411
PNG
(US9238644, 18)
Show SMILES CN1CCC(CC1)n1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C25H30ClN7O/c1-32-12-8-19(9-13-32)33-16-18(14-29-33)30-24-28-15-21(26)22(31-24)7-6-17-4-2-3-5-20(17)25(10-11-25)23(27)34/h2-5,14-16,19H,6-13H2,1H3,(H2,27,34)(H,28,30,31)
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n/an/a 5n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204842
PNG
(CHEMBL3927698)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O2/c1-3-6-17-19-18(13-9-11-14(28-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)29-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202407
PNG
(US9238644, 14)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(c2)C2CNC2)ncc1Cl
Show InChI InChI=1S/C22H24ClN7O/c23-18-12-26-21(28-15-9-27-30(13-15)16-10-25-11-16)29-19(18)6-5-14-3-1-2-4-17(14)22(7-8-22)20(24)31/h1-4,9,12-13,16,25H,5-8,10-11H2,(H2,24,31)(H,26,28,29)
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n/an/a 6n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 1


(Homo sapiens)
BDBM50414894
PNG
(CHEMBL573760)
Show SMILES COc1cc2C(=O)c3c(NCc4c(Cl)cccc4Cl)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)
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n/an/a 6.31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HRI kinase


Bioorg Med Chem Lett 19: 6548-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.033
BindingDB Entry DOI: 10.7270/Q26Q1ZGZ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202428
PNG
(US9238644, 34)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(CC(F)F)c2)ncc1Cl
Show InChI InChI=1S/C21H21ClF2N6O/c22-16-10-26-20(28-14-9-27-30(11-14)12-18(23)24)29-17(16)6-5-13-3-1-2-4-15(13)21(7-8-21)19(25)31/h1-4,9-11,18H,5-8,12H2,(H2,25,31)(H,26,28,29)
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n/an/a 7n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202419
PNG
(US9238644, 25)
Show SMILES Cc1n[nH]cc1Nc1ncc(Cl)c(CCc2ccccc2C2(CC2)C(N)=O)n1
Show InChI InChI=1S/C20H21ClN6O/c1-12-17(11-24-27-12)26-19-23-10-15(21)16(25-19)7-6-13-4-2-3-5-14(13)20(8-9-20)18(22)28/h2-5,10-11H,6-9H2,1H3,(H2,22,28)(H,24,27)(H,23,25,26)
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US Patent
n/an/a 7n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202464
PNG
(US9238644, 66)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(c2)C2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C25H28F3N7O/c26-25(27,28)20-14-31-23(33-17-13-32-35(15-17)18-7-11-30-12-8-18)34-21(20)6-5-16-3-1-2-4-19(16)24(9-10-24)22(29)36/h1-4,13-15,18,30H,5-12H2,(H2,29,36)(H,31,33,34)
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n/an/a 7n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202414
PNG
(US9238644, 21)
Show SMILES CN1CCC(C1)n1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C24H28ClN7O/c1-31-11-8-18(15-31)32-14-17(12-28-32)29-23-27-13-20(25)21(30-23)7-6-16-4-2-3-5-19(16)24(9-10-24)22(26)33/h2-5,12-14,18H,6-11,15H2,1H3,(H2,26,33)(H,27,29,30)
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n/an/a 7n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202413
PNG
(US9238644, 20)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(c2)C2CCNC2)ncc1Cl
Show InChI InChI=1S/C23H26ClN7O/c24-19-13-27-22(29-16-11-28-31(14-16)17-7-10-26-12-17)30-20(19)6-5-15-3-1-2-4-18(15)23(8-9-23)21(25)32/h1-4,11,13-14,17,26H,5-10,12H2,(H2,25,32)(H,27,29,30)
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n/an/a 7n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202465
PNG
(US9238644, 67)
Show SMILES CN1CCC(CC1)n1cc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C26H30F3N7O/c1-35-12-8-19(9-13-35)36-16-18(14-32-36)33-24-31-15-21(26(27,28)29)22(34-24)7-6-17-4-2-3-5-20(17)25(10-11-25)23(30)37/h2-5,14-16,19H,6-13H2,1H3,(H2,30,37)(H,31,33,34)
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n/an/a 7n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204859
PNG
(CHEMBL3939483)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204851
PNG
(CHEMBL3947445)
Show SMILES COc1ccc(cc1)C1c2c(Oc3cc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-31-19-13-11-16(12-14-19)22-23-21(15-18-9-5-6-10-20(18)25(23)28)32-27-24(22)26(29-30-27)17-7-3-2-4-8-17/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 1


(Homo sapiens)
BDBM50414893
PNG
(CHEMBL578426)
Show SMILES COc1cc2Cc3c(NCc4c(C)cccc4C)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C21H23N3O2/c1-12-6-5-7-13(2)17(12)11-22-21-16-8-14-9-18(25-3)19(26-4)10-15(14)20(16)23-24-21/h5-7,9-10H,8,11H2,1-4H3,(H2,22,23,24)
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n/an/a 7.94n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HRI kinase


Bioorg Med Chem Lett 19: 6548-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.033
BindingDB Entry DOI: 10.7270/Q26Q1ZGZ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202423
PNG
(US9238644, 29)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(CC(F)(F)F)c2)ncc1Cl
Show InChI InChI=1S/C21H20ClF3N6O/c22-16-10-27-19(29-14-9-28-31(11-14)12-21(23,24)25)30-17(16)6-5-13-3-1-2-4-15(13)20(7-8-20)18(26)32/h1-4,9-11H,5-8,12H2,(H2,26,32)(H,27,29,30)
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n/an/a 8n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202462
PNG
(US9238644, 64)
Show SMILES COc1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C23H22F3N5O2/c1-33-19-9-7-15(12-28-19)30-21-29-13-17(23(24,25)26)18(31-21)8-6-14-4-2-3-5-16(14)22(10-11-22)20(27)32/h2-5,7,9,12-13H,6,8,10-11H2,1H3,(H2,27,32)(H,29,30,31)
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n/an/a 8n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204852
PNG
(CHEMBL3982934)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(SC)cc1
Show InChI InChI=1S/C23H26N4OS/c1-3-6-17-19-18(13-9-11-14(29-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)28-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204906
PNG
(CHEMBL3911514)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H23N3O/c27-24-19-14-8-7-13-18(19)15-20-22(24)21(16-9-3-1-4-10-16)23-25(28-29-26(23)30-20)17-11-5-2-6-12-17/h1-6,9-12,15,21H,7-8,13-14,27H2,(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202399
PNG
(US9238644, 6)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cccnc2)ncc1Cl
Show InChI InChI=1S/C21H20ClN5O/c22-17-13-25-20(26-15-5-3-11-24-12-15)27-18(17)8-7-14-4-1-2-6-16(14)21(9-10-21)19(23)28/h1-6,11-13H,7-10H2,(H2,23,28)(H,25,26,27)
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n/an/a 8n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202438
PNG
(US9238644, 44)
Show SMILES CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(c2)C2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C24H30ClN7O/c1-16(23(26)33)20-6-4-3-5-17(20)7-8-22-21(25)14-27-24(30-22)29-18-13-28-32(15-18)19-9-11-31(2)12-10-19/h3-6,13-16,19H,7-12H2,1-2H3,(H2,26,33)(H,27,29,30)
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n/an/a 9n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202429
PNG
(US9238644, 35)
Show SMILES CC(C(N)=O)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl
Show InChI InChI=1S/C18H19ClN6O/c1-11(17(20)26)14-5-3-2-4-12(14)6-7-16-15(19)10-21-18(25-16)24-13-8-22-23-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,26)(H,22,23)(H,21,24,25)
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n/an/a 9n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202410
PNG
(US9238644, 17)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cnn(c2)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C24H28ClN7O/c25-20-14-28-23(30-17-13-29-32(15-17)18-7-11-27-12-8-18)31-21(20)6-5-16-3-1-2-4-19(16)24(9-10-24)22(26)33/h1-4,13-15,18,27H,5-12H2,(H2,26,33)(H,28,30,31)
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n/an/a 9n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202396
PNG
(US9238644, 3)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H32F3N5O/c1-37-16-12-20(13-17-37)19-6-9-22(10-7-19)35-27-34-18-24(29(30,31)32)25(36-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(33)38/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,33,38)(H,34,35,36)
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n/an/a 9n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204911
PNG
(CHEMBL3957246)
Show SMILES Nc1c2CCCCCc2nc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O/c27-23-18-14-8-3-9-15-19(18)28-25-21(23)20(16-10-4-1-5-11-16)22-24(29-30-26(22)31-25)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H2,27,28)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202406
PNG
(US9238644, 13)
Show SMILES Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C20H21ClN6O/c1-27-12-14(10-24-27)25-19-23-11-16(21)17(26-19)7-6-13-4-2-3-5-15(13)20(8-9-20)18(22)28/h2-5,10-12H,6-9H2,1H3,(H2,22,28)(H,23,25,26)
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n/an/a 9n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202395
PNG
(US9238644, 2)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2ccc(cc2)C2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C28H30F3N5O/c29-28(30,31)23-17-34-26(35-21-8-5-18(6-9-21)19-11-15-33-16-12-19)36-24(23)10-7-20-3-1-2-4-22(20)27(13-14-27)25(32)37/h1-6,8-9,17,19,33H,7,10-16H2,(H2,32,37)(H,34,35,36)
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n/an/a 10n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202470
PNG
(US9238644, 71)
Show SMILES CC(NC(C)=O)c1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H28F3N5O2/c1-16(33-17(2)36)18-7-10-20(11-8-18)34-25-32-15-22(27(28,29)30)23(35-25)12-9-19-5-3-4-6-21(19)26(13-14-26)24(31)37/h3-8,10-11,15-16H,9,12-14H2,1-2H3,(H2,31,37)(H,33,36)(H,32,34,35)
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n/an/a 10n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202400
PNG
(US9238644, 7)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2ccc(cc2)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C27H30ClN5O/c28-23-17-31-26(32-21-8-5-18(6-9-21)19-11-15-30-16-12-19)33-24(23)10-7-20-3-1-2-4-22(20)27(13-14-27)25(29)34/h1-6,8-9,17,19,30H,7,10-16H2,(H2,29,34)(H,31,32,33)
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n/an/a 10n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202401
PNG
(US9238644, 8)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1
Show InChI InChI=1S/C28H32ClN5O/c1-34-16-12-20(13-17-34)19-6-9-22(10-7-19)32-27-31-18-24(29)25(33-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(30)35/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,30,35)(H,31,32,33)
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n/an/a 10n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204850
PNG
(CHEMBL3927562)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O/c1-2-5-16-18-17(12-8-10-13(23)11-9-12)19-20(24)14-6-3-4-7-15(14)25-21(19)28-22(18)27-26-16/h8-11,17H,2-7H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202416
PNG
(US9238644, 23)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2ccccc2)ncc1Cl
Show InChI InChI=1S/C22H21ClN4O/c23-18-14-25-21(26-16-7-2-1-3-8-16)27-19(18)11-10-15-6-4-5-9-17(15)22(12-13-22)20(24)28/h1-9,14H,10-13H2,(H2,24,28)(H,25,26,27)
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n/an/a 11n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50204905
PNG
(CHEMBL3984536)
Show SMILES Cc1ccc(cc1)C1c2c(Oc3cc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C27H25N3O/c1-16-11-13-17(14-12-16)22-23-21(15-19-9-5-6-10-20(19)25(23)28)31-27-24(22)26(29-30-27)18-7-3-2-4-8-18/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202412
PNG
(US9238644, 19)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2cn[nH]c2)ncc1Cl
Show InChI InChI=1S/C19H19ClN6O/c20-15-11-22-18(25-13-9-23-24-10-13)26-16(15)6-5-12-3-1-2-4-14(12)19(7-8-19)17(21)27/h1-4,9-11H,5-8H2,(H2,21,27)(H,23,24)(H,22,25,26)
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n/an/a 11n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202408
PNG
(US9238644, 15)
Show SMILES NC(=O)C1(CC1)c1ccccc1CCc1nc(Nc2ccc(nc2)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C26H29ClN6O/c27-21-16-31-25(32-19-6-8-22(30-15-19)18-9-13-29-14-10-18)33-23(21)7-5-17-3-1-2-4-20(17)26(11-12-26)24(28)34/h1-4,6,8,15-16,18,29H,5,7,9-14H2,(H2,28,34)(H,31,32,33)
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n/an/a 11n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202437
PNG
(US9238644, 43)
Show SMILES CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(c2)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C23H28ClN7O/c1-15(22(25)32)19-5-3-2-4-16(19)6-7-21-20(24)13-27-23(30-21)29-17-12-28-31(14-17)18-8-10-26-11-9-18/h2-5,12-15,18,26H,6-11H2,1H3,(H2,25,32)(H,27,29,30)
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n/an/a 12n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 12n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202420
PNG
(US9238644, 26)
Show SMILES Cc1nn(C)cc1Nc1ncc(Cl)c(CCc2ccccc2C2(CC2)C(N)=O)n1
Show InChI InChI=1S/C21H23ClN6O/c1-13-18(12-28(2)27-13)26-20-24-11-16(22)17(25-20)8-7-14-5-3-4-6-15(14)21(9-10-21)19(23)29/h3-6,11-12H,7-10H2,1-2H3,(H2,23,29)(H,24,25,26)
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n/an/a 12n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
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