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Compile Data Set for Download or QSAR

Found 460 hits Enz. Inhib. hit(s) with all data for entry = 11501   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621094
PNG
(US20230303563, Compound 40)
Show SMILES COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621094
PNG
(US20230303563, Compound 40)
Show SMILES COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621095
PNG
(6-(6-methoxyimidazo- [1,2-a]pyridin-3-yl)- N-((3S,...)
Show SMILES CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC)cn12 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621096
PNG
((R)-N-(6-(6-methoxy- imidazo[1,2-a]pyridin- 3-yl)p...)
Show SMILES COc1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621098
PNG
(6-(6-(difluorometh- oxy)imidazo[1,2-a]- pyridin-3-...)
Show SMILES FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r|
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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621103
PNG
(US20230303563, Compound 61)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621107
PNG
(N-((3S,4S)-3-fluoro- piperidin-4-yl)-6-(7- methoxy...)
Show SMILES COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r|
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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621109
PNG
(N-((3S,4S)-4-fluoro- pyrrolidin-3-yl)-6-(7- methox...)
Show SMILES COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621111
PNG
(1-(4-(3-(6-((4,4-difluoro- pyrrolidin-3-yl)amino)-...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621112
PNG
(N-(4,4-difluoropyrrolidin- 3-yl)-6-(7-methoxy-6-(1...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621113
PNG
(N-(4,4-difluoropyrrolidin- 3-yl)-6-(7-methoxy-6-(1...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621115
PNG
(US20230303563, Compound 117)
Show SMILES OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621115
PNG
(US20230303563, Compound 117)
Show SMILES OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r|
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621116
PNG
(2-(3-(6-(((3S,4S)-4- fluoropyrrolidin-3- yl)amino)...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
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More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621116
PNG
(2-(3-(6-(((3S,4S)-4- fluoropyrrolidin-3- yl)amino)...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621121
PNG
(6-(6-cyclopropylimidazo[1,2- a]pyridin-3-yl)-N-((3...)
Show SMILES FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r|
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621126
PNG
(6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-yl)...)
Show SMILES FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621127
PNG
(6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-yl)...)
Show SMILES CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621130
PNG
(N-(6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-...)
Show SMILES FC(F)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621131
PNG
(N-(6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-...)
Show SMILES FC(F)c1ccc2ncc(-c3cccc(NC4CC5(C4)CCNC5)n3)n2c1 |(-6.48,3.83,;-5.15,3.06,;-5.15,1.52,;-3.81,3.83,;-3.81,5.37,;-2.48,6.14,;-1.14,5.37,;.32,5.85,;1.23,4.6,;.32,3.36,;1.09,2.02,;0,.93,;.4,-.55,;1.89,-.95,;2.98,.14,;4.46,-.26,;5.23,-1.6,;4.14,-2.68,;5.23,-3.77,;6.32,-2.68,;3.99,-4.68,;4.46,-6.14,;6,-6.14,;6.48,-4.68,;2.58,1.62,;-1.14,3.83,;-2.48,3.06,)|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621134
PNG
(N-((3S,4S)-4- fluoropiperidin-3-yl)-6-(7- isopropo...)
Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621135
PNG
(4-fluoro-N-((3S,4S)-4- fluoropyrrolidin-3-yl)-6- (...)
Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1cc(F)cc(N[C@H]2CNC[C@@H]2F)n1 |r|
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621137
PNG
(3,5-difluoro-N-((3S,4S)-4- fluoropiperidin-3-yl)-6...)
Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621137
PNG
(3,5-difluoro-N-((3S,4S)-4- fluoropiperidin-3-yl)-6...)
Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621138
PNG
(N-((3S,4S)-4- fluoropiperidin-3-yl)-4-(7- isopropo...)
Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1ccnc(N[C@H]2CNCC[C@@H]2F)n1 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621140
PNG
(US20230303563, Compound 215)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1)C(F)(F)F |r|
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621141
PNG
(US20230303563, Compound 216)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621141
PNG
(US20230303563, Compound 216)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621144
PNG
(6-(6-chloro-7- isopropoxyimidazo[1,2- a]pyridin-3-...)
Show SMILES CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621147
PNG
(US20230303563, Compound 224)
Show SMILES F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC3CC3)ccn12 |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621148
PNG
(US20230303563, Compound 226)
Show SMILES FC(F)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
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Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621149
PNG
(US20230303563, Compound 231)
Show SMILES COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O |r|
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Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621149
PNG
(US20230303563, Compound 231)
Show SMILES COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O |r|
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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621150
PNG
(2-(3-(3,5-difluoro-6- (((3S,4S)-4- fluoropiperidin...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|
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More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621150
PNG
(2-(3-(3,5-difluoro-6- (((3S,4S)-4- fluoropiperidin...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r|
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More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621151
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
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More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621151
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621153
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621153
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621153
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621153
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r|
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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621155
PNG
(Fast-eluting diastereomer: 2- (3-(6-((R)-5- azaspi...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621155
PNG
(Fast-eluting diastereomer: 2- (3-(6-((R)-5- azaspi...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621155
PNG
(Fast-eluting diastereomer: 2- (3-(6-((R)-5- azaspi...)
Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621158
PNG
(US20230303563, Compound 257)
Show SMILES F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621159
PNG
(6-(7-(1H-imidazol-2- yl)imidazo[1,2-a]pyridin-3- y...)
Show SMILES F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621160
PNG
(6-(7-(2,2- difluoroethoxy)imidazo[1,2- a]pyridin-3...)
Show SMILES FC(F)COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621160
PNG
(6-(7-(2,2- difluoroethoxy)imidazo[1,2- a]pyridin-3...)
Show SMILES FC(F)COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r|
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Ligand-Target Pair
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