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Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'berry' and Initial = 'ak'   
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 BTK


(Homo sapiens (Human))
BDBM303609
PNG
(US10138229, Example 121)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@]2(C1)CCCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.34,(-4.74,1.91,;-4.74,.37,;-6.08,-.4,;-3.41,-.4,;-3.41,-1.94,;-4.74,-2.71,;-1.94,-2.42,;-1.04,-1.17,;-1.94,.07,;-1.54,1.56,;-2.63,2.65,;-2.24,4.14,;-.75,4.53,;-.35,6.02,;1.14,6.42,;2.23,5.33,;3.71,5.73,;4.11,7.22,;3.02,8.31,;1.54,7.91,;.34,3.45,;-.06,1.96,;-1.17,-3.75,;.31,-4.15,;-.08,-5.64,;-1.57,-5.24,;-.85,-6.97,;-.08,-8.31,;1.46,-8.31,;2.23,-6.97,;1.46,-5.64,;3.77,-6.97,;4.54,-8.31,;4.54,-5.64,;6.08,-5.64,)|
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303606
PNG
(US10138229, Example 118 | US10138229, Example 119)
Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)|
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n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303652
PNG
(US10138229, Example 164)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.35,(6.4,-5.83,;5.06,-6.6,;3.73,-7.37,;2.39,-8.14,;2.39,-9.68,;1.06,-7.37,;-.4,-7.85,;-1.31,-6.6,;-.4,-5.35,;-.01,-3.87,;-1.49,-3.47,;-1.89,-4.96,;-2.26,-2.13,;-1.36,-.89,;-2.26,.36,;-3.73,-.12,;-5.06,.65,;-5.06,2.19,;-6.4,-.12,;-3.73,-1.66,;-5.06,-2.43,;-1.86,1.84,;-.38,2.24,;.02,3.73,;-1.07,4.82,;-.67,6.31,;.82,6.71,;1.22,8.19,;.13,9.28,;2.7,8.59,;1.62,9.68,;-2.55,4.42,;-2.95,2.93,;1.06,-5.83,)|
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n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303642
PNG
(US10138229, Example 154)
Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(.82,8.19,;-.67,7.79,;-1.07,6.31,;.02,5.22,;-.38,3.73,;-1.86,3.33,;-2.95,4.42,;-2.55,5.91,;-2.26,1.84,;-1.36,.6,;-2.26,-.65,;-1.49,-1.98,;-.01,-2.38,;-.4,-3.87,;-1.89,-3.47,;-1.31,-5.11,;-.4,-6.36,;1.06,-5.88,;1.06,-4.34,;2.39,-6.65,;2.39,-8.19,;3.73,-5.88,;5.06,-5.11,;6.4,-4.34,;-3.73,-.17,;-5.06,-.94,;-3.73,1.37,;-5.06,2.14,;-5.06,3.68,;-6.4,1.37,)|
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n/an/a 0.600n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303586
PNG
(US10138229, Example 98)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:13.15,11.40,wD:11.10,(7.28,-7.01,;5.95,-7.78,;5.95,-9.32,;4.61,-7.01,;3.28,-7.78,;1.95,-7.01,;.61,-7.78,;.61,-9.32,;-.72,-7.01,;-2.19,-7.49,;-3.09,-6.24,;-2.19,-5,;-1.42,-3.66,;-2.75,-2.89,;-3.52,-4.23,;-3.15,-1.4,;-2.24,-.16,;-3.15,1.09,;-4.61,.61,;-5.95,1.38,;-5.95,2.92,;-7.28,.61,;-4.61,-.93,;-5.95,-1.7,;-2.75,2.57,;-1.26,2.97,;-.86,4.46,;-1.95,5.55,;-1.55,7.04,;-.07,7.44,;1.02,6.35,;2.51,6.75,;2.91,8.23,;1.82,9.32,;.33,8.92,;-3.44,5.15,;-3.84,3.66,;-.72,-5.47,)|
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n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303639
PNG
(US10138229, Example 151)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccn3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.22,8.74,;2.7,9.14,;3.79,8.05,;3.4,6.56,;1.91,6.16,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
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n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303528
PNG
(US10138229, Example 41)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1
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n/an/a 0.730n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303543
PNG
(US10138229, Example 54)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
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n/an/a 0.730n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303521
PNG
(US10138229, Example 35)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
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n/an/a 0.770n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303569
PNG
(US10138229, Example 81)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
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n/an/a 0.790n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303579
PNG
(US10138229, Example 91)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
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n/an/a 0.790n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303585
PNG
(US10138229, Example 97)
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n/an/a 0.800n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303638
PNG
(US10138229, Example 150)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)|
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n/an/a 0.800n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303588
PNG
(US10138229, Example 100)
Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1
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n/an/a 0.800n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303598
PNG
(US10138229, Example 110)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1
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n/an/a 0.870n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303580
PNG
(US10138229, Example 92)
Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
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n/an/a 0.890n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303655
PNG
(US10138229, Example 167)
Show SMILES CCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:12.12,14.17,wD:14.21,(1.22,8.94,;.82,7.45,;-.67,7.05,;-1.07,5.56,;.02,4.47,;-.38,2.99,;-1.86,2.59,;-2.95,3.68,;-2.55,5.16,;-2.26,1.1,;-1.36,-.15,;-2.26,-1.39,;-1.49,-2.72,;-.01,-3.12,;-.4,-4.61,;-1.89,-4.21,;-1.31,-5.86,;-.4,-7.1,;1.06,-6.63,;1.06,-5.09,;2.39,-7.4,;2.39,-8.94,;3.73,-6.63,;5.06,-5.86,;6.4,-5.09,;-3.73,-.92,;-5.06,-1.69,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303628
PNG
(US10138229, Example 140)
Show SMILES CCCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:13.13,15.18,wD:15.22,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303616
PNG
(US10138229, Example 128)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303568
PNG
(US10138229, Example 80)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.33,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303533
PNG
(US10138229, Example 44)
Show SMILES NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303649
PNG
(US10138229, Example 161)
Show SMILES CCCOc1ccc(cc1F)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:14.14,16.19,wD:16.23,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-3.64,6.05,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303547
PNG
(US10138229, Example 58)
Show SMILES CC#CC(=O)N1CC2(CC(C2)c2nc(c(s2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)C1
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303605
PNG
(BDBM303608 | US10138229, Example 117)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;.69,4.28,;.29,2.79,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303535
PNG
(US10138229, Example 46)
Show SMILES NC(=O)c1[nH]c(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303656
PNG
(US10138229, Example 168)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(C)C)cc2)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-5.09,;5.06,-5.86,;3.73,-6.63,;2.39,-7.4,;2.39,-8.94,;1.06,-6.63,;-.4,-7.1,;-1.31,-5.86,;-.4,-4.61,;-.01,-3.12,;-1.49,-2.72,;-1.89,-4.21,;-2.26,-1.39,;-1.36,-.15,;-2.26,1.1,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,;-3.73,-.92,;-5.06,-1.69,;-1.86,2.59,;-.38,2.99,;.02,4.47,;-1.07,5.56,;-.67,7.05,;.82,7.45,;1.22,8.94,;1.91,6.36,;-2.55,5.16,;-2.95,3.68,;1.06,-5.09,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303648
PNG
(US10138229, Example 160)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.34,(6.4,-5.09,;5.06,-5.86,;3.73,-6.63,;2.39,-7.4,;2.39,-8.94,;1.06,-6.63,;-.4,-7.1,;-1.31,-5.86,;-.4,-4.61,;-.01,-3.12,;-1.49,-2.72,;-1.89,-4.21,;-2.26,-1.39,;-1.36,-.15,;-2.26,1.1,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,;-3.73,-.92,;-5.06,-1.69,;-1.86,2.59,;-.38,2.99,;.02,4.47,;-1.07,5.56,;-.67,7.05,;.82,7.45,;1.91,6.36,;1.22,8.94,;2.31,7.85,;-2.55,5.16,;-2.95,3.68,;1.06,-5.09,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303640
PNG
(US10138229, Example 152)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccn2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.33,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;1.88,8.74,;3.37,9.14,;4.46,8.05,;4.06,6.56,;2.57,6.16,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303625
PNG
(US10138229, Example 137)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(F)c(OCC(F)(F)F)c2)C1 |r,wU:10.12,8.7,wD:8.36,(6.4,-4.74,;5.06,-5.51,;3.73,-6.28,;2.39,-7.05,;2.39,-8.59,;1.06,-6.28,;-.4,-6.76,;-1.31,-5.51,;-.4,-4.27,;-.01,-2.78,;-1.49,-2.38,;-1.89,-3.87,;-2.26,-1.05,;-1.36,.2,;-2.26,1.45,;-3.73,.97,;-5.06,1.74,;-5.06,3.28,;-6.4,.97,;-3.73,-.57,;-5.06,-1.34,;-1.86,2.93,;-2.95,4.02,;-2.55,5.51,;-1.07,5.91,;-.67,7.4,;.02,4.82,;1.51,5.22,;1.91,6.71,;3.4,7.1,;3.79,8.59,;4.48,6.02,;4.88,7.5,;-.38,3.33,;1.06,-4.74,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303540
PNG
(US10138229, Example 51)
Show SMILES NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303565
PNG
(US10138229, Example 77)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)\C=C\CN1CCOCC1
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n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303620
PNG
(US10138229, Example 132)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(OC2CCCC2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.28,wD:23.32,(-4.39,3.06,;-4.39,1.52,;-5.73,.75,;-3.06,.75,;-3.06,-.79,;-4.39,-1.56,;-1.6,-1.27,;-.69,-.02,;-1.6,1.22,;-1.2,2.71,;.29,3.11,;.69,4.59,;-.4,5.68,;-0,7.17,;1.49,7.57,;2.39,6.32,;3.86,6.8,;3.86,8.34,;2.39,8.82,;-1.89,5.29,;-2.29,3.8,;-.83,-2.6,;.66,-3,;.26,-4.49,;-1.22,-4.09,;-.64,-5.74,;.26,-6.98,;1.73,-6.51,;1.73,-4.97,;3.06,-7.28,;3.06,-8.82,;4.39,-6.51,;5.73,-7.28,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303645
PNG
(US10138229, Example 157)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC3CC3)cc2)C1 |r,wU:10.12,8.7,wD:8.34,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-.67,7.25,;.82,7.65,;2.31,7.25,;1.91,8.74,;-2.55,5.36,;-2.95,3.88,;1.06,-4.89,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303570
PNG
(US10138229, Example 82)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CCN(CC2)C(=O)C=C
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303566
PNG
(US10138229, Example 78)
Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)c2nc(c(s2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.36,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-3.73,-1.11,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303571
PNG
(US10138229, Example 83)
Show SMILES CC#CC(=O)N1CCC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)CC1
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n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303626
PNG
(US10138229, Example 138)
Show SMILES CCCOc1ccc(cc1F)-c1nn(C2CC3(C2)CN(C3)C(=O)C#CC)c(N)c1C(N)=O
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303641
PNG
(US10138229, Example 153)
Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(1.49,8.19,;-0,7.79,;-.4,6.31,;.69,5.22,;.29,3.73,;-1.2,3.33,;-2.29,4.42,;-1.89,5.91,;-1.6,1.84,;-.69,.6,;-1.6,-.65,;-.83,-1.98,;.66,-2.38,;.26,-3.87,;-1.22,-3.47,;-.64,-5.11,;.26,-6.36,;1.73,-5.88,;1.73,-4.34,;3.06,-6.65,;3.06,-8.19,;4.39,-5.88,;5.73,-6.65,;-3.06,-.17,;-4.39,-.94,;-3.06,1.37,;-4.39,2.14,;-4.39,3.68,;-5.73,1.37,)|
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n/an/a 2.30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303590
PNG
(US10138229, Example 102)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1
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n/an/a 2.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303591
PNG
(US10138229, Example 103)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)C1CC2(C1)CN(C2)C(=O)C=C
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n/an/a 2.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303636
PNG
(BDBM303654 | US10138229, Example 148)
Show SMILES CCCOc1ccc(cc1Cl)-c1nn(C2CC3(C2)CN(C3)C(=O)C#CC)c(N)c1C(N)=O
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303539
PNG
(US10138229, Example 50)
Show SMILES NC(=O)c1sc(C[C@@H]2CCCN2C(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 |r|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303515
PNG
(US10138229, Example 29)
Show SMILES NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303546
PNG
(US10138229, Example 57)
Show SMILES NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303587
PNG
(US10138229, Example 99)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)\C=C\CN1CCOCC1 |r,wU:22.24,24.33,wD:24.29,(-6.61,3.31,;-6.61,1.77,;-7.95,1,;-5.28,1,;-5.28,-.54,;-6.61,-1.31,;-3.82,-1.02,;-2.91,.23,;-3.82,1.47,;-3.42,2.96,;-1.93,3.36,;-1.53,4.85,;-2.62,5.93,;-2.22,7.42,;-.73,7.82,;.36,6.73,;1.84,7.13,;2.24,8.62,;1.15,9.71,;-.33,9.31,;-4.11,5.54,;-4.51,4.05,;-3.42,-2.51,;-2.08,-3.28,;-2.85,-4.61,;-4.19,-3.84,;-3.76,-5.86,;-2.85,-7.1,;-1.39,-6.63,;-1.39,-5.09,;-.05,-7.4,;-.05,-8.94,;1.28,-6.63,;2.61,-7.4,;3.95,-6.63,;5.28,-7.4,;5.28,-8.94,;6.61,-9.71,;7.95,-8.94,;7.95,-7.4,;6.61,-6.63,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303595
PNG
(US10138229, Example 107)
Show SMILES CCCOc1ccc(cc1)-c1nn(C2CC3(C2)CN(C3)C(=O)C#CC)c(N)c1C(N)=O
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n/an/a 3.30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303602
PNG
(BDBM303611 | US10138229, Example 114)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)nc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;.69,4.28,;.29,2.79,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303514
PNG
(US10138229, Example 28)
Show SMILES NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303605
PNG
(BDBM303608 | US10138229, Example 117)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;.69,4.28,;.29,2.79,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303603
PNG
(US10138229, Example 115)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1
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n/an/a 3.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138229 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair
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