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26 similar compounds to monomer 50297455

Wt: 422.3
BDBM50297487
Wt: 386.3
BDBM50297496
Wt: 432.4
BDBM50297454
Wt: 407.1
BDBM50297456
Wt: 354.3
BDBM50297457
Wt: 386.3
BDBM50297458
Wt: 407.1
BDBM50297459
Wt: 404.3
BDBM50297460
Wt: 430.4
BDBM50297461
Wt: 358.3
BDBM50297462
Wt: 372.3
BDBM50297463
Wt: 396.2
BDBM50297464
Wt: 343.3
BDBM50297465
Wt: 346.2
BDBM50297466
Wt: 421.4
BDBM50297467
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50297487,50297496,50297454,50297456,50297457,50297458,50297459,50297460,50297461,50297462,50297463,50297464,50297465,50297466,50297467   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase p38


(Homo sapiens (human))
BDBM50297454
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H21FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-8,11-12,23H,9-10,13-15H2
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30n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297456
PNG
(6-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccc(Br)cc23)c2OCOCc2c1
Show InChI InChI=1S/C17H12BrFN2O4/c18-11-1-2-13-14(5-11)21(17(22)15(13)20-23)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297457
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1
Show InChI InChI=1S/C19H15FN2O4/c1-2-11-4-3-5-15-16(11)17(21-24)19(23)22(15)8-12-6-14(20)7-13-9-25-10-26-18(12)13/h2-7,17H,1,8-10H2
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140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297458
PNG
((Z)-methyl 1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-y...)
Show SMILES COC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C19H15FN2O6/c1-26-19(24)10-2-3-14-15(6-10)22(18(23)16(14)21-25)7-11-4-13(20)5-12-8-27-9-28-17(11)12/h2-6,16H,7-9H2,1H3
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160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297459
PNG
(4-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3Br)c2OCOCc2c1
Show InChI InChI=1S/C17H12BrFN2O4/c18-12-2-1-3-13-14(12)15(20-23)17(22)21(13)6-9-4-11(19)5-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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185n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297460
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccc(cc23)-c2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C23H17FN2O4/c24-18-8-16(22-17(9-18)12-29-13-30-22)11-26-20-10-15(14-4-2-1-3-5-14)6-7-19(20)21(25-28)23(26)27/h1-10,21H,11-13H2
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200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50297461
PNG
((3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=Cc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,23H,13-15H2
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230n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297462
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES COc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O5/c1-24-13-2-3-14-15(6-13)21(18(22)16(14)20-23)7-10-4-12(19)5-11-8-25-9-26-17(10)11/h2-6,16H,7-9H2,1H3
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240n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297463
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES OC(=O)c1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H13FN2O6/c19-12-3-10(16-11(4-12)7-26-8-27-16)6-21-14-5-9(18(23)24)1-2-13(14)15(20-25)17(21)22/h1-5,15H,6-8H2,(H,23,24)
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300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297464
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3ccc(cc23)C(F)(F)F)c2OCOCc2c1
Show InChI InChI=1S/C18H12F4N2O4/c19-12-3-9(16-10(4-12)7-27-8-28-16)6-24-14-5-11(18(20,21)22)1-2-13(14)15(23-26)17(24)25/h1-5,15H,6-8H2
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330n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297465
PNG
(6-amino-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C17H14FN3O4/c18-11-3-9(16-10(4-11)7-24-8-25-16)6-21-14-5-12(19)1-2-13(14)15(20-23)17(21)22/h1-5,15H,6-8,19H2
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297466
PNG
((3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl...)
Show SMILES Fc1ccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c2c1
Show InChI InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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440n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297467
PNG
(CHEMBL564616 | N-(1-((6-fluoro-4H-benzo[d][1,3]dio...)
Show SMILES CS(=O)(=O)Nc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H16FN3O6S/c1-29(25,26)21-13-2-3-14-15(6-13)22(18(23)16(14)20-24)7-10-4-12(19)5-11-8-27-9-28-17(10)11/h2-6,16,21H,7-9H2,1H3
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460n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297461
PNG
((3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=Cc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,23H,13-15H2
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740n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297487
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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5.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50297487
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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7.40E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50297457
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1
Show InChI InChI=1S/C19H15FN2O4/c1-2-11-4-3-5-15-16(11)17(21-24)19(23)22(15)8-12-6-14(20)7-13-9-25-10-26-18(12)13/h2-7,17H,1,8-10H2
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8.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50297459
PNG
(4-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3Br)c2OCOCc2c1
Show InChI InChI=1S/C17H12BrFN2O4/c18-12-2-1-3-13-14(12)15(20-23)17(22)21(13)6-9-4-11(19)5-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50297457
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3C=C)c2OCOCc2c1
Show InChI InChI=1S/C19H15FN2O4/c1-2-11-4-3-5-15-16(11)17(21-24)19(23)22(15)8-12-6-14(20)7-13-9-25-10-26-18(12)13/h2-7,17H,1,8-10H2
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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50297454
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H21FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-8,11-12,23H,9-10,13-15H2
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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50297459
PNG
(4-bromo-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)m...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3Br)c2OCOCc2c1
Show InChI InChI=1S/C17H12BrFN2O4/c18-12-2-1-3-13-14(12)15(20-23)17(22)21(13)6-9-4-11(19)5-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297454
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Fc1cc(CN2C(=O)C(N=O)c3c2cccc3CCc2ccccc2)c2OCOCc2c1
Show InChI InChI=1S/C25H21FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-8,11-12,23H,9-10,13-15H2
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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50297496
PNG
(CHEMBL559687 | methyl 1-((6-fluoro-4H-benzo[d][1,3...)
Show SMILES COC(=O)c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C19H15FN2O6/c1-26-19(24)13-3-2-4-14-15(13)16(21-25)18(23)22(14)7-10-5-12(20)6-11-8-27-9-28-17(10)11/h2-6,16H,7-9H2,1H3
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>1.50E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50297487
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-4...)
Show SMILES Fc1cccc(c1)-c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C23H16F2N2O4/c24-16-4-1-3-13(7-16)18-5-2-6-19-20(18)21(26-29)23(28)27(19)10-14-8-17(25)9-15-11-30-12-31-22(14)15/h1-9,21H,10-12H2
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2.30E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297496
PNG
(CHEMBL559687 | methyl 1-((6-fluoro-4H-benzo[d][1,3...)
Show SMILES COC(=O)c1cccc2N(Cc3cc(F)cc4COCOc34)C(=O)C(N=O)c12
Show InChI InChI=1S/C19H15FN2O6/c1-26-19(24)13-3-2-4-14-15(13)16(21-25)18(23)22(14)7-10-5-12(20)6-11-8-27-9-28-17(10)11/h2-6,16H,7-9H2,1H3
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PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair