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Compile Data Set for Download or QSAR

Found 1374 hits with Last Name = 'kim' and Initial = 'jk'   
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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0.0230n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082250
PNG
(2,2-Dimethyl-propionic acid 2-{[2-(4-hydroxy-3-met...)
Show SMILES COc1cc(CC(=O)NCC(CCc2ccccc2)COC(=O)C(C)(C)C)ccc1O
Show InChI InChI=1S/C25H33NO5/c1-25(2,3)24(29)31-17-20(11-10-18-8-6-5-7-9-18)16-26-23(28)15-19-12-13-21(27)22(14-19)30-4/h5-9,12-14,20,27H,10-11,15-17H2,1-4H3,(H,26,28)
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295n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082239
PNG
(2,2-Dimethyl-propionic acid 2-benzyl-3-[2-(4-hydro...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C24H31NO5/c1-24(2,3)23(28)30-16-19(12-17-8-6-5-7-9-17)15-25-22(27)14-18-10-11-20(26)21(13-18)29-4/h5-11,13,19,26H,12,14-16H2,1-4H3,(H,25,27)
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404n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082243
PNG
((E)-4-Benzyl-5-[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COc1cc(CC(=O)NCC(Cc2ccccc2)\C=C\C(=O)OC(C)(C)C)ccc1O
Show InChI InChI=1S/C25H31NO5/c1-25(2,3)31-24(29)13-11-20(14-18-8-6-5-7-9-18)17-26-23(28)16-19-10-12-21(27)22(15-19)30-4/h5-13,15,20,27H,14,16-17H2,1-4H3,(H,26,28)/b13-11+
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480n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082248
PNG
(2,2-Dimethyl-propionic acid (E)-2-{[2-(4-hydroxy-3...)
Show SMILES COc1cc(CC(=O)NC\C(COC(=O)C(C)(C)C)=C/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C25H31NO5/c1-25(2,3)24(29)31-17-20(11-10-18-8-6-5-7-9-18)16-26-23(28)15-19-12-13-21(27)22(14-19)30-4/h5-9,11-14,27H,10,15-17H2,1-4H3,(H,26,28)/b20-11+
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1.22E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082242
PNG
(2-[4-(2-Amino-ethoxy)-3-methoxy-phenyl]-N-[3-(3,4-...)
Show SMILES COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1OCCN
Show InChI InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082252
PNG
(7-Methyl-oct-6-enoic acid 4-hydroxy-3-methoxy-benz...)
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])ccc1-[#8]
Show InChI InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h7,9-11,19H,4-6,8,12H2,1-3H3,(H,18,20)
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5.31E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082240
PNG
(Acetic acid (E)-2-{[2-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(CC(=O)NC\C(COC(C)=O)=C/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,9-12,25H,8,13-15H2,1-2H3,(H,23,26)/b19-9+
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1.29E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082237
PNG
((E)-4-Benzyl-5-[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COC(=O)\C=C\C(CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c1-27-20-13-17(8-10-19(20)24)14-21(25)23-15-18(9-11-22(26)28-2)12-16-6-4-3-5-7-16/h3-11,13,18,24H,12,14-15H2,1-2H3,(H,23,25)/b11-9+
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1.35E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082238
PNG
(Acetic acid 2-benzyl-3-[2-(4-hydroxy-3-methoxy-phe...)
Show SMILES COc1cc(CC(=O)NCC(COC(C)=O)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C21H25NO5/c1-15(23)27-14-18(10-16-6-4-3-5-7-16)13-22-21(25)12-17-8-9-19(24)20(11-17)26-2/h3-9,11,18,24H,10,12-14H2,1-2H3,(H,22,25)
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1.93E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082236
PNG
(Acetic acid (Z)-2-{[2-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(CC(=O)NC\C(COC(C)=O)=C\Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,9-12,25H,8,13-15H2,1-2H3,(H,23,26)/b19-9-
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2.92E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082245
PNG
(Acetic acid 2-{[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COc1cc(CC(=O)NCC(CCc2ccccc2)COC(C)=O)ccc1O
Show InChI InChI=1S/C22H27NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,10-12,19,25H,8-9,13-15H2,1-2H3,(H,23,26)
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4.52E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082246
PNG
(Acetic acid 2-benzyloxymethyl-3-[2-(4-hydroxy-3-me...)
Show SMILES COc1cc(CC(=O)NCC(COCc2ccccc2)COC(C)=O)ccc1O
Show InChI InChI=1S/C22H27NO6/c1-16(24)29-15-19(14-28-13-17-6-4-3-5-7-17)12-23-22(26)11-18-8-9-20(25)21(10-18)27-2/h3-10,19,25H,11-15H2,1-2H3,(H,23,26)
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7.80E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082244
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (Z)-2-ace...)
Show SMILES COc1cc(CC(=O)OC\C(COC(C)=O)=C/COCc2ccccc2)ccc1O
Show InChI InChI=1S/C23H26O7/c1-17(24)29-15-20(10-11-28-14-18-6-4-3-5-7-18)16-30-23(26)13-19-8-9-21(25)22(12-19)27-2/h3-10,12,25H,11,13-16H2,1-2H3/b20-10-
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082241
PNG
(Acetic acid 2-benzyloxy-3-[2-(4-hydroxy-3-methoxy-...)
Show SMILES COc1cc(CC(=O)NCC(COC(C)=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C21H25NO6/c1-15(23)27-14-18(28-13-16-6-4-3-5-7-16)12-22-21(25)11-17-8-9-19(24)20(10-17)26-2/h3-10,18,24H,11-14H2,1-2H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082249
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid 3-acetoxy...)
Show SMILES COc1cc(CC(=O)OCC(COCc2ccccc2)COC(C)=O)ccc1O
Show InChI InChI=1S/C22H26O7/c1-16(23)28-14-19(13-27-12-17-6-4-3-5-7-17)15-29-22(25)11-18-8-9-20(24)21(10-18)26-2/h3-10,19,24H,11-15H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082253
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid 2-acetoxy...)
Show SMILES COc1cc(CC(=O)OCC(COC(C)=O)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C21H24O6/c1-15(22)26-13-18(10-16-6-4-3-5-7-16)14-27-21(24)12-17-8-9-19(23)20(11-17)25-2/h3-9,11,18,23H,10,12-14H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082251
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (E)-2-ace...)
Show SMILES COc1cc(CC(=O)OC\C(COC(C)=O)=C\COCc2ccccc2)ccc1O
Show InChI InChI=1S/C23H26O7/c1-17(24)29-15-20(10-11-28-14-18-6-4-3-5-7-18)16-30-23(26)13-19-8-9-21(25)22(12-19)27-2/h3-10,12,25H,11,13-16H2,1-2H3/b20-10+
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50082235
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid 3-acetoxy...)
Show SMILES COc1cc(CC(=O)OCC(COC(C)=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C21H24O7/c1-15(22)26-13-18(27-12-16-6-4-3-5-7-16)14-28-21(24)11-17-8-9-19(23)20(10-17)25-2/h3-10,18,23H,11-14H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474740
PNG
(CHEMBL355074)
Show SMILES CCCCc1ccc(cc1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:11|
Show InChI InChI=1S/C23H26O4S/c1-5-6-7-16-8-10-17(11-9-16)20-21(27-23(2,3)22(20)24)18-12-14-19(15-13-18)28(4,25)26/h8-15H,5-7H2,1-4H3
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474747
PNG
(CHEMBL167357)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1F)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H14F3NO4S/c1-18(2)17(23)15(9-5-10(19)7-11(20)6-9)16(26-18)13-4-3-12(8-14(13)21)27(22,24)25/h3-8H,1-2H3,(H2,22,24,25)
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474743
PNG
(CHEMBL353935)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1F)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H15F2NO4S/c1-18(2)17(22)15(10-4-3-5-11(19)8-10)16(25-18)13-7-6-12(9-14(13)20)26(21,23)24/h3-9H,1-2H3,(H2,21,23,24)
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n/an/a 7.91n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474760
PNG
(CG-100649 | CG100649 | Polmacoxib)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
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n/an/a 8.30n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50170264
PNG
(CHEMBL361931 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 8.40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50170264
PNG
(CHEMBL361931 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298804
PNG
(US10125118, Example 210 | US10947215, Example 210)
Show SMILES CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C36H45N7O3/c1-25(43-16-14-42(15-17-43)18-19-44)27-10-12-29(13-11-27)28-8-6-26(7-9-28)24-46-34-5-3-4-33(34)40-36(45)32-20-30(21-38-35(32)37)31-22-39-41(2)23-31/h6-13,20-23,25,33-34,44H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,45)/t25?,33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298805
PNG
(US10125118, Example 211 | US10947215, Example 211)
Show SMILES CC(N1C[C@H](C)N(CCO)[C@H](C)C1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C38H49N7O3/c1-25-21-44(22-26(2)45(25)16-17-46)27(3)29-12-14-31(15-13-29)30-10-8-28(9-11-30)24-48-36-7-5-6-35(36)42-38(47)34-18-32(19-40-37(34)39)33-20-41-43(4)23-33/h8-15,18-20,23,25-27,35-36,46H,5-7,16-17,21-22,24H2,1-4H3,(H2,39,40)(H,42,47)/t25-,26+,27?,35-,36-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298806
PNG
(US10125118, Example 212 | US10947215, Example 212)
Show SMILES CC(N1CCN(CCO)CC1)c1c(F)cc(cc1F)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C36H43F2N7O3/c1-23(45-12-10-44(11-13-45)14-15-46)34-30(37)17-26(18-31(34)38)25-8-6-24(7-9-25)22-48-33-5-3-4-32(33)42-36(47)29-16-27(19-40-35(29)39)28-20-41-43(2)21-28/h6-9,16-21,23,32-33,46H,3-5,10-15,22H2,1-2H3,(H2,39,40)(H,42,47)/t23?,32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298807
PNG
(US10125118, Example 213 | US10947215, Example 213)
Show SMILES C[C@@H](N1CCNCC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C34H41N7O2/c1-23(41-16-14-36-15-17-41)25-10-12-27(13-11-25)26-8-6-24(7-9-26)22-43-32-5-3-4-31(32)39-34(42)30-18-28(19-37-33(30)35)29-20-38-40(2)21-29/h6-13,18-21,23,31-32,36H,3-5,14-17,22H2,1-2H3,(H2,35,37)(H,39,42)/t23-,31+,32+/m1/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298808
PNG
(US10125118, Example 214 | US10947215, Example 214)
Show SMILES C[C@@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C35H43N7O2/c1-24(42-17-15-40(2)16-18-42)26-11-13-28(14-12-26)27-9-7-25(8-10-27)23-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-41(3)22-30/h7-14,19-22,24,32-33H,4-6,15-18,23H2,1-3H3,(H2,36,37)(H,39,43)/t24-,32+,33+/m1/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298809
PNG
(US10125118, Example 215 | US10947215, Example 215)
Show SMILES C[C@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C35H43N7O2/c1-24(42-17-15-40(2)16-18-42)26-11-13-28(14-12-26)27-9-7-25(8-10-27)23-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-41(3)22-30/h7-14,19-22,24,32-33H,4-6,15-18,23H2,1-3H3,(H2,36,37)(H,39,43)/t24-,32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298810
PNG
(US10125118, Example 216 | US10947215, Example 216)
Show SMILES CN1CCN(CC1)C1(CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C36H43N7O2/c1-41-16-18-43(19-17-41)36(14-15-36)30-12-10-27(11-13-30)26-8-6-25(7-9-26)24-45-33-5-3-4-32(33)40-35(44)31-20-28(21-38-34(31)37)29-22-39-42(2)23-29/h6-13,20-23,32-33H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,44)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298811
PNG
(US10125118, Example 217 | US10947215, Example 217)
Show SMILES CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C36H45N7O2/c1-36(2,43-18-16-41(3)17-19-43)30-14-12-27(13-15-30)26-10-8-25(9-11-26)24-45-33-7-5-6-32(33)40-35(44)31-20-28(21-38-34(31)37)29-22-39-42(4)23-29/h8-15,20-23,32-33H,5-7,16-19,24H2,1-4H3,(H2,37,38)(H,40,44)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298812
PNG
(US10125118, Example 218 | US10947215, Example 218)
Show SMILES C[C@@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C36H45N7O3/c1-25(43-16-14-42(15-17-43)18-19-44)27-10-12-29(13-11-27)28-8-6-26(7-9-28)24-46-34-5-3-4-33(34)40-36(45)32-20-30(21-38-35(32)37)31-22-39-41(2)23-31/h6-13,20-23,25,33-34,44H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,45)/t25-,33+,34+/m1/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298813
PNG
(US10125118, Example 219 | US10947215, Example 219)
Show SMILES C[C@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1 |r|
Show InChI InChI=1S/C36H45N7O3/c1-25(43-16-14-42(15-17-43)18-19-44)27-10-12-29(13-11-27)28-8-6-26(7-9-28)24-46-34-5-3-4-33(34)40-36(45)32-20-30(21-38-35(32)37)31-22-39-41(2)23-31/h6-13,20-23,25,33-34,44H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,45)/t25-,33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298814
PNG
(US10125118, Example 220 | US10947215, Example 220)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C1(CC1)N1CCN(CCO)CC1 |r|
Show InChI InChI=1S/C37H45N7O3/c1-42-24-30(23-40-42)29-21-32(35(38)39-22-29)36(46)41-33-3-2-4-34(33)47-25-26-5-7-27(8-6-26)28-9-11-31(12-10-28)37(13-14-37)44-17-15-43(16-18-44)19-20-45/h5-12,21-24,33-34,45H,2-4,13-20,25H2,1H3,(H2,38,39)(H,41,46)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298815
PNG
(US10125118, Example 221 | US10947215, Example 221)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(C)(C)N1CCN(CCO)CC1 |r|
Show InChI InChI=1S/C37H47N7O3/c1-37(2,44-17-15-43(16-18-44)19-20-45)31-13-11-28(12-14-31)27-9-7-26(8-10-27)25-47-34-6-4-5-33(34)41-36(46)32-21-29(22-39-35(32)38)30-23-40-42(3)24-30/h7-14,21-24,33-34,45H,4-6,15-20,25H2,1-3H3,(H2,38,39)(H,41,46)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298816
PNG
(US10125118, Example 222 | US10125118, Example 223 ...)
Show SMILES C[C@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C36H41FN6O2/c1-24(43-18-16-42(2)17-19-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-33-5-3-4-32(33)41-36(44)31-20-30(22-40-35(31)38)29-14-15-34(37)39-21-29/h6-15,20-22,24,32-33H,3-5,16-19,23H2,1-2H3,(H2,38,40)(H,41,44)/t24-,32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298816
PNG
(US10125118, Example 222 | US10125118, Example 223 ...)
Show SMILES C[C@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C36H41FN6O2/c1-24(43-18-16-42(2)17-19-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-33-5-3-4-32(33)41-36(44)31-20-30(22-40-35(31)38)29-14-15-34(37)39-21-29/h6-15,20-22,24,32-33H,3-5,16-19,23H2,1-2H3,(H2,38,40)(H,41,44)/t24-,32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298818
PNG
(US10125118, Example 224 | US10947215, Example 224)
Show SMILES CN1CCN(CC1)C1(CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C37H41FN6O2/c1-43-17-19-44(20-18-43)37(15-16-37)30-12-9-27(10-13-30)26-7-5-25(6-8-26)24-46-33-4-2-3-32(33)42-36(45)31-21-29(23-41-35(31)39)28-11-14-34(38)40-22-28/h5-14,21-23,32-33H,2-4,15-20,24H2,1H3,(H2,39,41)(H,42,45)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298819
PNG
(US10125118, Example 225 | US10947215, Example 225)
Show SMILES CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C37H43FN6O2/c1-37(2,44-19-17-43(3)18-20-44)30-14-11-27(12-15-30)26-9-7-25(8-10-26)24-46-33-6-4-5-32(33)42-36(45)31-21-29(23-41-35(31)39)28-13-16-34(38)40-22-28/h7-16,21-23,32-33H,4-6,17-20,24H2,1-3H3,(H2,39,41)(H,42,45)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298820
PNG
(US10125118, Example 226 | US10947215, Example 226)
Show SMILES C[C@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C37H43FN6O3/c1-25(44-17-15-43(16-18-44)19-20-45)27-9-11-29(12-10-27)28-7-5-26(6-8-28)24-47-34-4-2-3-33(34)42-37(46)32-21-31(23-41-36(32)39)30-13-14-35(38)40-22-30/h5-14,21-23,25,33-34,45H,2-4,15-20,24H2,1H3,(H2,39,41)(H,42,46)/t25-,33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298821
PNG
(US10125118, Example 227 | US10947215, Example 227)
Show SMILES C[C@@H](N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C37H43FN6O3/c1-25(44-17-15-43(16-18-44)19-20-45)27-9-11-29(12-10-27)28-7-5-26(6-8-28)24-47-34-4-2-3-33(34)42-37(46)32-21-31(23-41-36(32)39)30-13-14-35(38)40-22-30/h5-14,21-23,25,33-34,45H,2-4,15-20,24H2,1H3,(H2,39,41)(H,42,46)/t25-,33+,34+/m1/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298822
PNG
(US10125118, Example 228 | US10947215, Example 228)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C1(CC1)N1CCN(CCO)CC1)-c1ccc(F)nc1 |r|
Show InChI InChI=1S/C38H43FN6O3/c39-35-13-10-29(23-41-35)30-22-32(36(40)42-24-30)37(47)43-33-2-1-3-34(33)48-25-26-4-6-27(7-5-26)28-8-11-31(12-9-28)38(14-15-38)45-18-16-44(17-19-45)20-21-46/h4-13,22-24,33-34,46H,1-3,14-21,25H2,(H2,40,42)(H,43,47)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298823
PNG
(US10125118, Example 229 | US10947215, Example 229)
Show SMILES CC(C)(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1 |r|
Show InChI InChI=1S/C38H45FN6O3/c1-38(2,45-18-16-44(17-19-45)20-21-46)31-13-10-28(11-14-31)27-8-6-26(7-9-27)25-48-34-5-3-4-33(34)43-37(47)32-22-30(24-42-36(32)40)29-12-15-35(39)41-23-29/h6-15,22-24,33-34,46H,3-5,16-21,25H2,1-2H3,(H2,40,42)(H,43,47)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298824
PNG
(US10125118, Example 230 | US10947215, Example 230)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cncc(F)c2)cc1 |r|
Show InChI InChI=1S/C36H41FN6O2/c1-24(43-16-14-42(2)15-17-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-34-5-3-4-33(34)41-36(44)32-19-30(21-40-35(32)38)29-18-31(37)22-39-20-29/h6-13,18-22,24,33-34H,3-5,14-17,23H2,1-2H3,(H2,38,40)(H,41,44)/t24?,33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298825
PNG
(US10125118, Example 231 | US10947215, Example 231)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(Cl)cnc2N)cc1 |r|
Show InChI InChI=1S/C31H38ClN5O2/c1-21(37-16-14-36(2)15-17-37)23-10-12-25(13-11-23)24-8-6-22(7-9-24)20-39-29-5-3-4-28(29)35-31(38)27-18-26(32)19-34-30(27)33/h6-13,18-19,21,28-29H,3-5,14-17,20H2,1-2H3,(H2,33,34)(H,35,38)/t21?,28-,29-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298826
PNG
(US10125118, Example 232 | US10947215, Example 232)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(F)cnc2N)cc1 |r|
Show InChI InChI=1S/C31H38FN5O2/c1-21(37-16-14-36(2)15-17-37)23-10-12-25(13-11-23)24-8-6-22(7-9-24)20-39-29-5-3-4-28(29)35-31(38)27-18-26(32)19-34-30(27)33/h6-13,18-19,21,28-29H,3-5,14-17,20H2,1-2H3,(H2,33,34)(H,35,38)/t21?,28-,29-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM486602
PNG
(US10947215, Example 233)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)C#N)cc1 |r|
Show InChI InChI=1S/C32H38N6O2/c1-22(38-16-14-37(2)15-17-38)25-10-12-27(13-11-25)26-8-6-23(7-9-26)21-40-30-5-3-4-29(30)36-32(39)28-18-24(19-33)20-35-31(28)34/h6-13,18,20,22,29-30H,3-5,14-17,21H2,1-2H3,(H2,34,35)(H,36,39)/t22?,29-,30-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer/receptor UFO


(Homo sapiens (Human))
BDBM298829
PNG
(US10125118, Example 235 | US10947215, Example 235)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cccnc2N)cc1 |r|
Show InChI InChI=1S/C31H39N5O2/c1-22(36-19-17-35(2)18-20-36)24-12-14-26(15-13-24)25-10-8-23(9-11-25)21-38-29-7-3-6-28(29)34-31(37)27-5-4-16-33-30(27)32/h4-5,8-16,22,28-29H,3,6-7,17-21H2,1-2H3,(H2,32,33)(H,34,37)/t22?,28-,29-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was em...


US Patent US10947215 (2021)


BindingDB Entry DOI: 10.7270/Q2862KKK
More data for this
Ligand-Target Pair
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