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Compile Data Set for Download or QSAR

Found 3672 hits with Last Name = 'thalladi' and Initial = 'vr'   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277525
PNG
(US10072026, Example 4-16 | US10947254, Example 4-1...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277527
PNG
(US10072026, Example 4-18 | US10947254, Example 4-1...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277527
PNG
(US10072026, Example 4-18 | US10947254, Example 4-1...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277528
PNG
(US10072026, Example 4-19 | US10947254, Example 4-1...)
Show SMILES COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277528
PNG
(US10072026, Example 4-19 | US10947254, Example 4-1...)
Show SMILES COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277529
PNG
(US10072026, Example 4-20 | US10947254, Example 4-2...)
Show SMILES CCC1(CC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:12.11.10:15.14.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277531
PNG
(US10072026, Example 4-22 | US10947254, Example 4-2...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC=C)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277661
PNG
(US10072026, Example 8-10 | US10947254, Example 8-1...)
Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277661
PNG
(US10072026, Example 8-10 | US10947254, Example 8-1...)
Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)c3cccnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277532
PNG
(US10072026, Example 4-23 | US10947254, Example 4-2...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277536
PNG
(US10072026, Example 4-27 | US10947254, Example 4-2...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277538
PNG
(US10072026, Example 4-29 | US10947254, Example 4-2...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277538
PNG
(US10072026, Example 4-29 | US10947254, Example 4-2...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277668
PNG
(US10072026, Example 8-17 | US10947254, Example 8-1...)
Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277668
PNG
(US10072026, Example 8-17 | US10947254, Example 8-1...)
Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:17:16:13.12:9.15.10|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277674
PNG
(US10072026, Example 8-23 | US10947254, Example 8-2...)
Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c3cc(C)cnc3c2F)n[nH]1 |r,TLB:18:17:9.16.10:12.14.13|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM624954
PNG
(US11780852, Example 5-10)
Show SMILES COc1ccc2c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |THB:17:16:11.12.13:8.9.15|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM624954
PNG
(US11780852, Example 5-10)
Show SMILES COc1ccc2c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |THB:17:16:11.12.13:8.9.15|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM487289
PNG
(US10947254, Example 5-11 | US11780852, Example 5-1...)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:25:24:21.20:18.17.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277550
PNG
(US10072026, Example 5-12 | US10947254, Example 5-1...)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277550
PNG
(US10072026, Example 5-12 | US10947254, Example 5-1...)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM487291
PNG
(US10947254, Example 5-13 | US11780852, Example 5-1...)
Show SMILES CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CO)ccc12 |r,TLB:2:5:8.7:12.11.10|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM487291
PNG
(US10947254, Example 5-13 | US11780852, Example 5-1...)
Show SMILES CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CO)ccc12 |r,TLB:2:5:8.7:12.11.10|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277553
PNG
(US10072026, Example 5-15 | US10947254, Example 5-1...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277554
PNG
(US10072026, Example 5-16 | US10947254, Example 5-1...)
Show SMILES CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:8.7:11.10.12|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277556
PNG
(US10072026, Example 5-18 | US10947254, Example 5-1...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277559
PNG
(US10072026, Example 5-21 | US10947254, Example 5-2...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277560
PNG
(US10072026, Example 5-22 | US10947254, Example 5-2...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277560
PNG
(US10072026, Example 5-22 | US10947254, Example 5-2...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277561
PNG
(US10072026, Example 5-23 | US10947254, Example 5-2...)
Show SMILES CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:9.8.7:12.11.13|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277561
PNG
(US10072026, Example 5-23 | US10947254, Example 5-2...)
Show SMILES CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCOCC3)ccc12 |r,TLB:2:5:9.8.7:12.11.13|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277564
PNG
(US10072026, Example 5-26 | US11780852, Example 5-2...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277564
PNG
(US10072026, Example 5-26 | US11780852, Example 5-2...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
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Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM277564
PNG
(US10072026, Example 5-26 | US11780852, Example 5-2...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277404
PNG
(N7-(5-methyl-1H-pyrazol-3-yl)-2-(morpholinomethyl)...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)n2)n[nH]1 |r,TLB:30:29:26.25:22.28.23|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277568
PNG
(US10072026, Example 5-30 | US10947254, Example 5-3...)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:31:30:27.26.25:22.29.23|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277390
PNG
(3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)ami...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277390
PNG
(3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)ami...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277396
PNG
(N5-((1R,3s,5S)-8-(ethylsulfonyl)-8-azabicyclo[3.2....)
Show SMILES CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:8.7:11.10.12|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277397
PNG
(N7-(5-methyl-1H-pyrazol-3-yl)-N5-((1R,3s,5S)-9-(py...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277397
PNG
(N7-(5-methyl-1H-pyrazol-3-yl)-N5-((1R,3s,5S)-9-(py...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277399
PNG
(N5-((1R,3s,5S)-9-(ethylsulfonyl)-9-azabicyclo[3.3....)
Show SMILES CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:12.11.13:7.9.8|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277399
PNG
(N5-((1R,3s,5S)-9-(ethylsulfonyl)-9-azabicyclo[3.3....)
Show SMILES CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:12.11.13:7.9.8|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM487314
PNG
(US10947254, Example 5-36 | US11780852, Example 5-3...)
Show SMILES CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2nc(CN3CCN(C)CC3)ccc12 |THB:5:8:10.11:13.14.15|
Show InChI InChI=1S/C30H43N9O2S/c1-4-30(9-10-30)42(40,41)39-23-6-7-24(39)17-22(16-23)32-29-25-8-5-21(19-38-13-11-37(3)12-14-38)31-26(25)18-27(34-29)33-28-15-20(2)35-36-28/h5,8,15,18,22-24H,4,6-7,9-14,16-17,19H2,1-3H3,(H3,32,33,34,35,36)/t22-,23-,24+
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277585
PNG
(US10072026, Example 6-4 | US10947254, Example 6-4 ...)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277586
PNG
(US10072026, Example 6-5 | US10947254, Example 6-5 ...)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19:16.22.17|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277400
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277400
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277400
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277402
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
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Ligand-Target Pair
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