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Patent code US9796700

Compile Data Set for Download or QSAR

Found 349 hits of Enzyme Inhibition Constant Data   
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
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351000
PNG
(US9796700, Compound I-90)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1
Show InChI InChI=1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351096
PNG
(US9796700, Compound I-191)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)c1
Show InChI InChI=1S/C22H21ClN6O3/c1-4-19(30)25-16-7-5-6-8-17(16)26-20-15(23)12-24-22(28-20)27-18-11-14(10-9-13(18)2)21(31)29-32-3/h4-12H,1H2,2-3H3,(H,25,30)(H,29,31)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351111
PNG
(US9796700, Compound I-206)
Show SMILES Cc1ccc(cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C21H18ClFN6O2/c1-3-18(30)26-17-9-13(23)6-7-15(17)27-20-14(22)10-25-21(29-20)28-16-8-12(19(24)31)5-4-11(16)2/h3-10H,1H2,2H3,(H2,24,31)(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351145
PNG
(US9796700, Compound I-240)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)c(C)cn1
Show InChI InChI=1S/C20H19ClN6O2/c1-4-17(28)24-14-7-5-6-8-15(14)25-19-13(21)11-23-20(27-19)26-16-9-18(29-3)22-10-12(16)2/h4-11H,1H2,2-3H3,(H,24,28)(H2,22,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351186
PNG
(US9796700, Compound I-283)
Show SMILES COCCOc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(OC)n1
Show InChI InChI=1S/C23H23F3N6O4/c1-4-18(33)29-16-7-5-6-8-17(16)30-21-15(23(24,25)26)13-27-22(32-21)28-14-11-19(35-3)31-20(12-14)36-10-9-34-2/h4-8,11-13H,1,9-10H2,2-3H3,(H,29,33)(H2,27,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351199
PNG
(US9796700, Compound I-296)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccc(C)cc3NC(=O)C=C)n2)cc(n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H29ClN8O3/c1-5-23(37)30-21-12-16(2)6-7-20(21)31-25-19(27)15-28-26(33-25)29-18-13-22(32-24(14-18)38-4)35-10-8-34(9-11-35)17(3)36/h5-7,12-15H,1,8-11H2,2-4H3,(H,30,37)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351203
PNG
(US9796700, Compound I-319)
Show SMILES Cc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C21H19ClN6O2/c1-3-18(29)25-15-6-4-5-7-16(15)26-20-14(22)11-24-21(28-20)27-17-10-13(19(23)30)9-8-12(17)2/h3-11H,1H2,2H3,(H2,23,30)(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351205
PNG
(US9796700, Compound I-314)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc3N(CCCN)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C26H30ClN7O2/c1-2-23(35)31-20-8-3-4-9-21(20)32-25-19(27)16-29-26(33-25)30-18-11-12-22-17(15-18)7-5-10-24(36)34(22)14-6-13-28/h3-4,8-9,11-12,15-16H,2,5-7,10,13-14,28H2,1H3,(H,31,35)(H2,29,30,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350913
PNG
(US9796700, Compound I-7)
Show SMILES NC(=O)[C@H]1CCC[C@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O2/c1-2-17(31)28-15-8-3-4-9-16(15)29-19-14(21(22,23)24)11-26-20(30-19)27-13-7-5-6-12(10-13)18(25)32/h2-4,8-9,11-13H,1,5-7,10H2,(H2,25,32)(H,28,31)(H2,26,27,29,30)/t12-,13+/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350921
PNG
(US9796700, Compound I-15)
Show SMILES OCC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O3/c1-2-17(32)27-15-7-3-4-8-16(15)28-19-14(21(22,23)24)10-25-20(29-19)26-13-6-5-9-30(11-13)18(33)12-31/h2-4,7-8,10,13,31H,1,5-6,9,11-12H2,(H,27,32)(H2,25,26,28,29)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350950
PNG
(US9796700, Compound I-40)
Show SMILES CC(=C)S(=O)(=O)Nc1ccccc1Nc1nc(NC2CCC(=O)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O3S/c1-12(2)32(30,31)28-17-6-4-3-5-16(17)26-18-15(20(21,22)23)11-24-19(27-18)25-13-7-9-14(29)10-8-13/h3-6,11,13,28H,1,7-10H2,2H3,(H2,24,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350981
PNG
(US9796700, Compound I-71)
Show SMILES NC(=O)c1ccc(C#N)c(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16F3N7O2/c1-2-18(33)29-15-5-3-4-6-16(15)30-20-14(22(23,24)25)11-28-21(32-20)31-17-9-12(19(27)34)7-8-13(17)10-26/h2-9,11H,1H2,(H2,27,34)(H,29,33)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350996
PNG
(US9796700, Compound I-86)
Show SMILES COc1cncc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N6O2/c1-3-17(30)27-15-6-4-5-7-16(15)28-18-14(20(21,22)23)11-25-19(29-18)26-12-8-13(31-2)10-24-9-12/h3-11H,1H2,2H3,(H,27,30)(H2,25,26,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351002
PNG
(US9796700, Compound I-92)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H27F3N8O3/c1-4-22(39)32-19-7-5-6-8-20(19)33-24-18(26(27,28)29)15-30-25(35-24)31-17-13-21(34-23(14-17)40-3)37-11-9-36(10-12-37)16(2)38/h4-8,13-15H,1,9-12H2,2-3H3,(H,32,39)(H2,30,31,33,34,35)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351008
PNG
(US9796700, Compound I-98)
Show SMILES CC(=O)c1ccc(C)c(Nc2ncc(c(Nc3ccc(C)cc3NS(=O)(=O)C(C)=C)n2)C(F)(F)F)c1
Show InChI InChI=1S/C24H24F3N5O3S/c1-13(2)36(34,35)32-21-10-14(3)6-9-19(21)29-22-18(24(25,26)27)12-28-23(31-22)30-20-11-17(16(5)33)8-7-15(20)4/h6-12,32H,1H2,2-5H3,(H2,28,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351025
PNG
(US9796700, Compound I-115 | US9796700, Compound I-...)
Show SMILES CC(=O)N1CCCC(C1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C20H23ClN6O2/c1-3-18(29)24-16-8-4-5-9-17(16)25-19-15(21)11-22-20(26-19)23-14-7-6-10-27(12-14)13(2)28/h3-5,8-9,11,14H,1,6-7,10,12H2,2H3,(H,24,29)(H2,22,23,25,26)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351031
PNG
(US9796700, Compound I-121)
Show SMILES OCC1CCCC(C1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C20H24ClN5O2/c1-2-18(28)24-16-8-3-4-9-17(16)25-19-15(21)11-22-20(26-19)23-14-7-5-6-13(10-14)12-27/h2-4,8-9,11,13-14,27H,1,5-7,10,12H2,(H,24,28)(H2,22,23,25,26)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351113
PNG
(US9796700, Compound I-208)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C21H18ClFN6O3/c1-3-18(30)26-15-9-12(23)5-6-14(15)27-20-13(22)10-25-21(29-20)28-16-8-11(19(24)31)4-7-17(16)32-2/h3-10H,1H2,2H3,(H2,24,31)(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351153
PNG
(US9796700, Compound I-248)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3NC(=O)C=C)n2)c(C)cn1
Show InChI InChI=1S/C20H18Cl2N6O2/c1-4-17(29)25-16-7-12(21)5-6-14(16)26-19-13(22)10-24-20(28-19)27-15-8-18(30-3)23-9-11(15)2/h4-10H,1H2,2-3H3,(H,25,29)(H2,23,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351157
PNG
(US9796700, Compound I-258)
Show SMILES COc1cc(ccc1Nc1ncc(C(N)=O)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H29N7O5/c1-4-24(36)30-20-7-5-6-8-22(20)39-26-19(25(28)37)16-29-27(32-26)31-21-10-9-18(15-23(21)38-3)34-13-11-33(12-14-34)17(2)35/h4-10,15-16H,1,11-14H2,2-3H3,(H2,28,37)(H,30,36)(H,29,31,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351187
PNG
(US9796700, Compound I-284)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)ncc3C)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C22H21F3N6O3/c1-5-18(32)28-17-8-13(33-3)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(34-4)26-10-12(16)2/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351189
PNG
(US9796700, Compound I-286)
Show SMILES COCCNc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(OC)n1
Show InChI InChI=1S/C23H24F3N7O3/c1-4-19(34)30-16-7-5-6-8-17(16)31-21-15(23(24,25)26)13-28-22(33-21)29-14-11-18(27-9-10-35-2)32-20(12-14)36-3/h4-8,11-13H,1,9-10H2,2-3H3,(H,30,34)(H3,27,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351223
PNG
(US9796700, Compound I-334)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)nc(c3)N3CCN(C)CC3)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C26H29F3N8O3/c1-5-22(38)32-20-14-17(39-3)6-7-19(20)33-24-18(26(27,28)29)15-30-25(35-24)31-16-12-21(34-23(13-16)40-4)37-10-8-36(2)9-11-37/h5-7,12-15H,1,8-11H2,2-4H3,(H,32,38)(H2,30,31,33,34,35)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350952
PNG
(US9796700, Compound I-41)
Show SMILES CCC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccc(C)cc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N6O2/c1-4-19(33)29-18-11-14(3)8-9-17(18)30-21-16(23(24,25)26)12-27-22(31-21)28-15-7-6-10-32(13-15)20(34)5-2/h4,8-9,11-12,15H,1,5-7,10,13H2,2-3H3,(H,29,33)(H2,27,28,30,31)/t15-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350953
PNG
(US9796700, Compound I-42)
Show SMILES Cc1ccc(Nc2nc(N[C@H]3CCCN(C3)C(=O)CN)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C22H26F3N7O2/c1-3-18(33)29-17-9-13(2)6-7-16(17)30-20-15(22(23,24)25)11-27-21(31-20)28-14-5-4-8-32(12-14)19(34)10-26/h3,6-7,9,11,14H,1,4-5,8,10,12,26H2,2H3,(H,29,33)(H2,27,28,30,31)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350957
PNG
(US9796700, Compound I-46)
Show SMILES CC(=C)S(=O)(=O)Nc1ccccc1Nc1nc(N[C@H]2CCCN(C2)C(=O)CO)ncc1C(F)(F)F
Show InChI InChI=1S/C21H25F3N6O4S/c1-13(2)35(33,34)29-17-8-4-3-7-16(17)27-19-15(21(22,23)24)10-25-20(28-19)26-14-6-5-9-30(11-14)18(32)12-31/h3-4,7-8,10,14,29,31H,1,5-6,9,11-12H2,2H3,(H2,25,26,27,28)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350979
PNG
(US9796700, Compound I-69)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)c1
Show InChI InChI=1S/C23H21F3N6O3/c1-4-19(33)28-16-7-5-6-8-17(16)29-20-15(23(24,25)26)12-27-22(31-20)30-18-11-14(10-9-13(18)2)21(34)32-35-3/h4-12H,1H2,2-3H3,(H,28,33)(H,32,34)(H2,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350986
PNG
(US9796700, Compound I-76)
Show SMILES Cc1cc(F)c(cc1Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C22H18F4N6O2/c1-3-18(33)29-15-6-4-5-7-16(15)30-20-13(22(24,25)26)10-28-21(32-20)31-17-9-12(19(27)34)14(23)8-11(17)2/h3-10H,1H2,2H3,(H2,27,34)(H,29,33)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM50094304
PNG
(CHEMBL3590118 | US9796700, Compound I-108)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C27H41N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351050
PNG
(US9796700, Compound I-139)
Show SMILES CC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(Nc2ccc(C)cc2NC(=O)C=C)n1
Show InChI InChI=1S/C21H25ClN6O2/c1-4-19(30)25-18-10-13(2)7-8-17(18)26-20-16(22)11-23-21(27-20)24-15-6-5-9-28(12-15)14(3)29/h4,7-8,10-11,15H,1,5-6,9,12H2,2-3H3,(H,25,30)(H2,23,24,26,27)/t15-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351051
PNG
(US9796700, Compound I-140)
Show SMILES Cc1ccc(Nc2nc(N[C@H]3CCCN(C3)C(=O)CO)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C21H25ClN6O3/c1-3-18(30)25-17-9-13(2)6-7-16(17)26-20-15(22)10-23-21(27-20)24-14-5-4-8-28(11-14)19(31)12-29/h3,6-7,9-10,14,29H,1,4-5,8,11-12H2,2H3,(H,25,30)(H2,23,24,26,27)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351116
PNG
(US9796700, Compound I-211)
Show SMILES Fc1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)c(c1)C#N
Show InChI InChI=1S/C20H14ClFN6O/c1-2-18(29)25-16-5-3-4-6-17(16)26-19-14(21)11-24-20(28-19)27-15-8-7-13(22)9-12(15)10-23/h2-9,11H,1H2,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351184
PNG
(US9796700, Compound I-281)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(n1)N1CCCC1
Show InChI InChI=1S/C24H24F3N7O2/c1-3-20(35)30-17-8-4-5-9-18(17)31-22-16(24(25,26)27)14-28-23(33-22)29-15-12-19(32-21(13-15)36-2)34-10-6-7-11-34/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H,30,35)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351195
PNG
(US9796700, Compound I-292)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(NC2CCC(O)CC2)n1
Show InChI InChI=1S/C26H28F3N7O3/c1-3-22(38)33-19-6-4-5-7-20(19)34-24-18(26(27,28)29)14-30-25(36-24)32-16-12-21(35-23(13-16)39-2)31-15-8-10-17(37)11-9-15/h3-7,12-15,17,37H,1,8-11H2,2H3,(H,33,38)(H3,30,31,32,34,35,36)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351200
PNG
(US9796700, Compound I-297)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)nc(c3)N3CCN(CC3)C(C)=O)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C26H29ClN8O4/c1-5-23(37)30-21-14-18(38-3)6-7-20(21)31-25-19(27)15-28-26(33-25)29-17-12-22(32-24(13-17)39-4)35-10-8-34(9-11-35)16(2)36/h5-7,12-15H,1,8-11H2,2-4H3,(H,30,37)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351208
PNG
(US9796700, Compound I-317)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(N[C@H]2CCCN(C2)C(C)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C21H25F3N6O2/c1-3-18(32)27-16-8-4-5-9-17(16)28-19-15(21(22,23)24)11-25-20(29-19)26-14-7-6-10-30(12-14)13(2)31/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3,(H,27,32)(H2,25,26,28,29)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350916
PNG
(US9796700, Compound I-10)
Show SMILES CC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O2/c1-3-18(32)27-16-8-4-5-9-17(16)28-19-15(21(22,23)24)11-25-20(29-19)26-14-7-6-10-30(12-14)13(2)31/h3-5,8-9,11,14H,1,6-7,10,12H2,2H3,(H,27,32)(H2,25,26,28,29)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350923
PNG
(US9796700, Compound I-17)
Show SMILES COC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O3/c1-3-17(31)27-15-8-4-5-9-16(15)28-18-14(21(22,23)24)11-25-19(29-18)26-13-7-6-10-30(12-13)20(32)33-2/h3-5,8-9,11,13H,1,6-7,10,12H2,2H3,(H,27,31)(H2,25,26,28,29)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350924
PNG
(US9796700, Compound I-18)
Show SMILES NC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N7O2/c1-2-16(31)27-14-7-3-4-8-15(14)28-17-13(20(21,22)23)10-25-19(29-17)26-12-6-5-9-30(11-12)18(24)32/h2-4,7-8,10,12H,1,5-6,9,11H2,(H2,24,32)(H,27,31)(H2,25,26,28,29)/t12-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350925
PNG
(US9796700, Compound I-19)
Show SMILES CC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccc(C)cc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O2/c1-4-19(33)28-18-10-13(2)7-8-17(18)29-20-16(22(23,24)25)11-26-21(30-20)27-15-6-5-9-31(12-15)14(3)32/h4,7-8,10-11,15H,1,5-6,9,12H2,2-3H3,(H,28,33)(H2,26,27,29,30)/t15-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350946
PNG
(US9796700, Compound I-36)
Show SMILES OCC(=O)N1CCC[C@@H](C1)Nc1ncc(c(N[C@@H]2CCCC[C@H]2NS(=O)(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C20H29F3N6O4S/c1-2-34(32,33)28-16-8-4-3-7-15(16)26-18-14(20(21,22)23)10-24-19(27-18)25-13-6-5-9-29(11-13)17(31)12-30/h2,10,13,15-16,28,30H,1,3-9,11-12H2,(H2,24,25,26,27)/t13-,15+,16+/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350948
PNG
(US9796700, Compound I-38)
Show SMILES Cc1ccc(Nc2nc(NC3CCC(=O)CC3)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C21H22F3N5O2/c1-3-18(31)27-17-10-12(2)4-9-16(17)28-19-15(21(22,23)24)11-25-20(29-19)26-13-5-7-14(30)8-6-13/h3-4,9-11,13H,1,5-8H2,2H3,(H,27,31)(H2,25,26,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350959
PNG
(US9796700, Compound I-48)
Show SMILES C\C=C\S(=O)(=O)Nc1cc(F)ccc1Nc1nc(N[C@H]2CCCN(C2)C(=O)CO)ncc1C(F)(F)F
Show InChI InChI=1S/C21H24F4N6O4S/c1-2-8-36(34,35)30-17-9-13(22)5-6-16(17)28-19-15(21(23,24)25)10-26-20(29-19)27-14-4-3-7-31(11-14)18(33)12-32/h2,5-6,8-10,14,30,32H,3-4,7,11-12H2,1H3,(H2,26,27,28,29)/b8-2+/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350964
PNG
(US9796700, Compound I-53)
Show SMILES CC(=C)S(=O)(=O)Nc1cc(C)ccc1Nc1nc(NC2CCC(=O)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-12(2)33(31,32)29-18-10-13(3)4-9-17(18)27-19-16(21(22,23)24)11-25-20(28-19)26-14-5-7-15(30)8-6-14/h4,9-11,14,29H,1,5-8H2,2-3H3,(H2,25,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM350987
PNG
(US9796700, Compound I-77)
Show SMILES Cc1cc(F)c(CO)cc1Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C22H19F4N5O2/c1-3-19(33)28-16-6-4-5-7-17(16)29-20-14(22(24,25)26)10-27-21(31-20)30-18-9-13(11-32)15(23)8-12(18)2/h3-10,32H,1,11H2,2H3,(H,28,33)(H2,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351013
PNG
(US9796700, Compound I-103)
Show SMILES OCCONC(=O)C1CCCC(C1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C22H27ClN6O4/c1-2-19(31)26-17-8-3-4-9-18(17)27-20-16(23)13-24-22(28-20)25-15-7-5-6-14(12-15)21(32)29-33-11-10-30/h2-4,8-9,13-15,30H,1,5-7,10-12H2,(H,26,31)(H,29,32)(H2,24,25,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351032
PNG
(US9796700, Compound I-122)
Show SMILES Clc1cnc(NC2CCCN(C2)C=O)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H21ClN6O2/c1-2-17(28)23-15-7-3-4-8-16(15)24-18-14(20)10-21-19(25-18)22-13-6-5-9-26(11-13)12-27/h2-4,7-8,10,12-13H,1,5-6,9,11H2,(H,23,28)(H2,21,22,24,25)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351045
PNG
(US9796700, Compound I-134)
Show SMILES C[C@@H](O)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C21H25ClN6O3/c1-3-18(30)25-16-8-4-5-9-17(16)26-19-15(22)11-23-21(27-19)24-14-7-6-10-28(12-14)20(31)13(2)29/h3-5,8-9,11,13-14,29H,1,6-7,10,12H2,2H3,(H,25,30)(H2,23,24,26,27)/t13-,14+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351047
PNG
(US9796700, Compound I-136)
Show SMILES Clc1cnc(N[C@H]2CCCN(C2)C(=O)C2CC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C22H25ClN6O2/c1-2-19(30)26-17-7-3-4-8-18(17)27-20-16(23)12-24-22(28-20)25-15-6-5-11-29(13-15)21(31)14-9-10-14/h2-4,7-8,12,14-15H,1,5-6,9-11,13H2,(H,26,30)(H2,24,25,27,28)/t15-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM351110
PNG
(US9796700, Compound I-205)
Show SMILES Cc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1)S(N)(=O)=O
Show InChI InChI=1S/C20H19ClN6O3S/c1-3-18(28)24-15-6-4-5-7-16(15)25-19-14(21)11-23-20(27-19)26-17-10-13(31(22,29)30)9-8-12(17)2/h3-11H,1H2,2H3,(H,24,28)(H2,22,29,30)(H2,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...


US Patent US9796700 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%