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Compile Data Set for Download or QSAR

Found 484 hits Enz. Inhib. hit(s) with all data for entry = 9739   
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))
BDBM485457
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(5-phen...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
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n/an/a 2.51n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485461
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(5- phe...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
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n/an/a 2.95n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485467
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(2-methy...)
Show SMILES Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,.46,;-3.32,2,;-4.65,2.77,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-3.32,5.08,;-1.98,4.31,;-1.98,2.77,;-.65,2,;-.65,.46,;-1.98,-.31,;-1.98,-1.85,;-.65,-2.62,;.68,-1.85,;2.15,-2.33,;3.05,-1.08,;4.59,-1.08,;5.36,-2.41,;5.36,.25,;6.9,.25,;7.67,1.59,;9.21,1.59,;9.98,.25,;9.21,-1.08,;7.67,-1.08,;6.9,-2.41,;7.67,-3.75,;6.9,-5.08,;9.21,-3.75,;9.98,-2.41,;2.02,.46,;2.02,2,;.68,2.77,;.68,4.31,;.68,-.31,)|
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n/an/a 3.98n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485459
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(5-phen...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
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n/an/a 4.07n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485460
PNG
(N-((1R,2S)-2-acrylamidocyclopentyl)-4-oxo-5-(5- ph...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
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n/an/a 4.07n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485600
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(4-(py...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
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n/an/a 4.17n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485458
PNG
(N-((1RS,2RS)-2-Acrylamidocyclopentyl)-5-(2-methyl-...)
Show SMILES C=CC(=O)N[C@@H]1CCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
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n/an/a 4.17n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485270
PNG
(N-((1R,2S)-2-acrylamidocyclopentyl)-4-oxo-5-(4-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
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n/an/a 4.27n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485345
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(5-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
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n/an/a 4.27n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485338
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(6-phen...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
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n/an/a 4.47n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485333
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(6-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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n/an/a 4.57n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485367
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(5-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
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n/an/a 4.79n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485331
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*R)-(4-isop...)
Show SMILES CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-9.26,6.86,;-7.93,6.09,;-7.93,4.55,;-6.6,6.86,;-5.26,6.09,;-5.26,4.55,;-3.93,3.78,;-2.59,4.55,;-2.59,6.09,;-1.26,6.86,;-3.93,6.86,;-1.26,3.78,;-1.26,2.24,;-2.59,1.47,;-2.59,-.07,;-1.26,-.84,;.07,-.07,;1.56,-.46,;2.33,.87,;3.87,.87,;4.64,2.2,;4.64,-.46,;6.18,-.46,;7.09,.78,;8.55,.3,;8.55,-1.23,;7.09,-1.71,;6.69,-3.2,;7.78,-4.29,;9.26,-3.89,;7.38,-5.77,;8.47,-6.86,;1.41,2.24,;1.41,3.78,;.07,4.55,;.07,6.09,;.07,1.47,)|
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n/an/a 5.01n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485387
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(6-cyclo...)
Show SMILES Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:28.31,23.24,(-1.07,6.19,;-2.4,5.42,;-3.73,6.19,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-5.07,3.88,;-3.73,3.11,;-2.4,3.88,;-1.07,3.11,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
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n/an/a 5.13n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485344
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(6-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
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n/an/a 5.25n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485340
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*R)-(4-isopr...)
Show SMILES CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,27.29,(-9.32,3.6,;-7.98,2.83,;-7.98,1.29,;-6.65,3.6,;-5.32,2.83,;-5.32,1.29,;-3.98,.52,;-2.65,1.29,;-2.65,2.83,;-1.32,3.6,;-3.98,3.6,;-1.32,.52,;-1.32,-1.02,;-2.65,-1.79,;-2.65,-3.33,;-1.32,-4.1,;.02,-3.33,;1.48,-3.81,;2.39,-2.56,;3.93,-2.56,;4.7,-3.9,;4.7,-1.23,;6.24,-1.23,;7.01,-2.56,;8.55,-2.56,;9.32,-1.23,;8.55,.1,;7.01,.1,;6.24,1.44,;7.01,2.77,;6.24,4.1,;8.55,2.77,;9.32,1.44,;1.35,-1.02,;1.35,.52,;.02,1.29,;.02,2.83,;.02,-1.79,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485464
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(*S)-(...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cc4)c(=O)[nH]c1c23 |r|
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n/an/a 5.37n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485335
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(2-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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n/an/a 5.5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485536
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(6-isob...)
Show SMILES CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,27.29,(-10,4.9,;-8.75,5.8,;-8.91,7.33,;-7.34,5.18,;-6.01,5.95,;-4.68,5.18,;-3.34,5.95,;-2.01,5.18,;-.68,5.95,;-2.01,3.64,;-3.34,2.87,;-4.68,3.64,;-.51,2.84,;-.51,1.3,;-1.84,.53,;-1.83,-1.01,;-.5,-1.78,;.83,-1.01,;2.32,-1.4,;3.25,.02,;4.9,-.01,;5.83,1.22,;5.43,-1.82,;7.01,-1.85,;8.09,-.75,;9.47,-1.45,;9.24,-2.97,;7.72,-3.22,;6.69,-4.57,;7.49,-5.88,;6.97,-7.33,;9,-5.61,;10,-6.79,;2.16,1.31,;2.15,2.85,;.82,3.61,;.81,5.15,;.83,.53,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485273
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485534
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(6-(cyc...)
Show SMILES Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,28.31,(-.78,6.64,;-2.12,5.87,;-3.45,6.64,;-4.78,5.87,;-6.12,6.64,;-7.45,5.87,;-8.86,6.5,;-9.89,5.35,;-9.12,4.02,;-7.61,4.34,;-4.78,4.33,;-3.45,3.56,;-2.12,4.33,;-.62,3.53,;-.62,1.99,;-1.95,1.22,;-1.94,-.32,;-.61,-1.09,;.73,-.31,;2.21,-.71,;3.14,.71,;4.79,.69,;5.72,1.91,;5.32,-1.13,;6.9,-1.15,;7.99,-.06,;9.36,-.75,;9.13,-2.27,;7.61,-2.52,;6.58,-3.87,;7.38,-5.19,;6.86,-6.64,;8.89,-4.92,;9.89,-6.09,;2.05,2,;2.05,3.54,;.71,4.31,;.71,5.85,;.72,1.23,)|
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n/an/a 5.89n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485355
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(4-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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n/an/a 5.89n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485466
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(2- phe...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
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n/an/a 5.89n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485589
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(6-isop...)
Show SMILES CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-8.53,4.09,;-8.53,5.63,;-9.86,6.4,;-7.2,6.4,;-5.86,5.63,;-4.53,6.4,;-3.2,5.63,;-1.86,6.4,;-3.2,4.09,;-4.53,3.32,;-5.86,4.09,;-1.86,3.32,;-1.86,1.78,;-3.2,1.01,;-3.2,-.53,;-1.86,-1.3,;-.53,-.53,;.94,-1,;1.84,.24,;3.38,.24,;4.15,1.58,;4.15,-1.09,;5.69,-1.09,;6.6,.15,;8.06,-.32,;8.06,-1.86,;6.6,-2.34,;6.2,-3.83,;7.29,-4.91,;6.89,-6.4,;8.77,-4.52,;9.86,-5.6,;.81,1.78,;.81,3.32,;-.53,4.09,;-.53,5.63,;-.53,1.01,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485337
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(4-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-3.86,.45,;-3.86,1.99,;-5.2,2.76,;-5.2,4.3,;-6.53,5.07,;-7.86,4.3,;-9.2,5.07,;-10.53,4.3,;-10.53,2.76,;-9.2,1.99,;-7.86,2.76,;-3.86,5.07,;-2.53,4.3,;-2.53,2.76,;-1.19,1.99,;-1.19,.45,;-2.53,-.32,;-2.53,-1.86,;-1.19,-2.63,;.14,-1.86,;1.6,-2.34,;2.51,-1.09,;4.05,-1.09,;4.82,-2.43,;4.82,.24,;6.36,.24,;7.26,1.49,;8.73,1.01,;8.73,-.53,;7.26,-1,;6.87,-2.49,;7.95,-3.58,;7.56,-5.07,;9.44,-3.18,;10.53,-4.27,;1.47,.45,;1.47,1.99,;.14,2.76,;.14,4.3,;.14,-.32,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485463
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(6-isopr...)
Show SMILES CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.32,6.41,;-7.98,5.64,;-7.98,4.1,;-6.65,6.41,;-5.32,5.64,;-3.98,6.41,;-2.65,5.64,;-1.32,6.41,;-2.65,4.1,;-3.98,3.33,;-5.32,4.1,;-1.32,3.33,;-1.32,1.79,;-2.65,1.02,;-2.65,-.52,;-1.32,-1.29,;.02,-.52,;1.48,-.99,;2.39,.25,;3.93,.25,;4.7,1.59,;4.7,-1.08,;6.24,-1.08,;7.01,.25,;8.55,.25,;9.32,-1.08,;8.55,-2.41,;7.01,-2.41,;6.24,-3.75,;7.01,-5.08,;6.24,-6.41,;8.55,-5.08,;9.32,-3.75,;1.35,1.79,;1.35,3.33,;.02,4.1,;.02,5.64,;.02,1.02,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485366
PNG
(N-((1R,2R)-2-Acrylamidocyclopentyl)-5-(*S)-(4-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-3.75,.37,;-3.75,1.91,;-5.08,2.68,;-5.08,4.22,;-6.41,4.99,;-7.75,4.22,;-9.08,4.99,;-10.42,4.22,;-10.42,2.68,;-9.08,1.91,;-7.75,2.68,;-3.75,4.99,;-2.41,4.22,;-2.41,2.68,;-1.08,1.91,;-1.08,.37,;-2.41,-.4,;-2.41,-1.94,;-1.08,-2.71,;.25,-1.94,;1.74,-2.34,;2.51,-1,;4.05,-1,;4.82,-2.34,;4.82,.85,;6.36,.33,;7.27,1.58,;8.73,1.1,;8.73,-.44,;7.27,-.92,;6.79,-2.38,;7.82,-3.53,;7.34,-4.99,;9.33,-3.21,;10.42,-4.29,;1.59,.37,;1.59,1.91,;.25,2.68,;.25,4.22,;.25,-.4,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485593
PNG
(N-((1S,3R)-3-Acrylamidocyclopentyl)-5-(*S)-(4-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,28.32,(-2.87,5.02,;-4.2,4.25,;-5.54,5.02,;-6.87,4.25,;-8.21,5.02,;-9.54,4.25,;-10.87,5.02,;-12.21,4.25,;-12.21,2.71,;-10.87,1.94,;-9.54,2.71,;-6.87,2.71,;-5.54,1.94,;-4.2,2.71,;-2.87,1.94,;-2.87,.4,;-4.2,-.37,;-4.2,-1.91,;-2.87,-2.68,;-1.54,-1.91,;-.07,-2.38,;.83,-1.14,;2.37,-1.14,;3.14,.2,;3.14,-2.47,;4.68,-2.47,;5.59,-1.23,;7.05,-1.7,;7.05,-3.24,;5.59,-3.72,;8.14,-4.33,;9.63,-3.93,;10.03,-2.44,;10.72,-5.02,;12.21,-4.62,;-.2,.4,;-.2,1.94,;-1.54,2.71,;-1.54,4.25,;-1.54,-.37,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485386
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(2-methyl-4-...)
Show SMILES Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,25.26,(-1.22,3.38,;-2.55,2.61,;-3.89,3.38,;-5.22,2.61,;-6.56,3.38,;-7.89,2.61,;-9.22,3.38,;-10.56,2.61,;-10.56,1.07,;-9.22,.3,;-7.89,1.07,;-5.22,1.07,;-3.89,.3,;-2.55,1.07,;-1.22,.3,;-1.22,-1.24,;-2.55,-2.01,;-2.55,-3.55,;-1.22,-4.32,;.11,-3.55,;1.6,-3.95,;2.53,-2.33,;4.07,-2.33,;4.85,-3.66,;4.85,-.99,;6.38,-.99,;7.29,-2.24,;8.75,-1.76,;8.75,-.22,;7.29,.25,;6.89,1.74,;7.98,2.83,;7.58,4.32,;9.47,2.43,;10.56,3.52,;1.45,-1.24,;1.45,.3,;.11,1.07,;.11,2.61,;.11,-2.01,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485365
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(2-methyl-4-...)
Show SMILES Cc1cc(Oc2cccnc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.59,4.29,;-1.93,3.52,;-3.26,4.29,;-4.6,3.52,;-5.93,4.29,;-7.26,3.52,;-8.6,4.29,;-9.93,3.52,;-9.93,1.98,;-8.6,1.21,;-7.26,1.98,;-4.6,1.98,;-3.26,1.21,;-1.93,1.98,;-.59,1.21,;-.59,-.33,;-1.93,-1.1,;-1.93,-2.64,;-.59,-3.41,;.74,-2.64,;2.23,-3.04,;3,-1.71,;4.54,-1.71,;5.31,-.37,;5.31,-3.04,;6.85,-3.04,;7.75,-4.29,;9.22,-3.81,;9.22,-2.27,;7.75,-1.8,;7.35,-.31,;8.44,.78,;9.93,.38,;8.04,2.27,;9.13,3.36,;2.07,-.33,;2.07,1.21,;.74,1.98,;.74,3.52,;.74,-1.1,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485332
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(4-meth...)
Show SMILES Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-3.26,2.24,;-3.26,3.78,;-4.6,4.55,;-4.6,6.09,;-5.93,6.86,;-7.26,6.09,;-8.6,6.86,;-9.93,6.09,;-9.93,4.55,;-8.6,3.78,;-7.26,4.55,;-3.26,6.86,;-1.93,6.09,;-1.93,4.55,;-.59,3.78,;-.59,2.24,;-1.93,1.47,;-1.93,-.07,;-.59,-.84,;.74,-.07,;2.23,-.46,;3,.87,;4.54,.87,;5.31,2.2,;5.31,-.46,;6.85,-.46,;7.75,.78,;9.22,.3,;9.22,-1.23,;7.75,-1.71,;7.35,-3.2,;8.44,-4.29,;9.93,-3.89,;8.04,-5.77,;9.13,-6.86,;2.07,2.24,;2.07,3.78,;.74,4.55,;.74,6.09,;.74,1.47,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485531
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(2-methyl-4-...)
Show SMILES Cc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r,wU:25.25,29.31,(-11.1,3.55,;-9.77,2.78,;-9.77,1.24,;-8.44,.47,;-7.1,1.24,;-7.1,2.78,;-5.77,3.55,;-4.43,2.78,;-4.43,1.24,;-3.1,.47,;-1.77,1.24,;-1.77,2.78,;-.43,3.55,;-3.1,3.55,;-.43,.47,;-.43,-1.07,;-1.77,-1.84,;-1.77,-3.38,;-.43,-4.15,;.9,-3.38,;2.37,-3.86,;3.08,-2.49,;4.62,-2.49,;5.39,-3.83,;5.39,-1.16,;6.93,-1.16,;7.84,-2.4,;9.3,-1.93,;9.3,-.39,;7.84,.09,;7.44,1.58,;8.53,2.66,;8.13,4.15,;10.01,2.27,;11.1,3.35,;2.23,-1.07,;2.23,.47,;.9,1.24,;.9,2.78,;.9,-1.84,;-8.44,3.55,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485284
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(4-phen...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485271
PNG
(N-((1R,2R)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-1,6.27,;-2.33,5.5,;-3.67,6.27,;-5,5.5,;-6.33,6.27,;-7.67,5.5,;-9,6.27,;-10.33,5.5,;-10.33,3.96,;-9,3.19,;-7.67,3.96,;-5,3.96,;-3.67,3.19,;-2.33,3.96,;-1,3.19,;-1,1.65,;-2.33,.88,;-2.33,-.66,;-1,-1.43,;.33,-.66,;1.78,-1.11,;2.49,.38,;4.03,.38,;4.8,1.71,;4.8,-.95,;6.34,-.95,;7.24,.29,;8.71,-.18,;8.71,-1.72,;7.24,-2.2,;6.77,-3.66,;7.8,-4.81,;7.32,-6.27,;9.3,-4.49,;10.33,-5.63,;1.67,1.65,;1.67,3.19,;.33,3.96,;.33,5.5,;.33,.88,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485334
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-4-oxo-5-(2-phen...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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n/an/a 7.94n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485359
PNG
(5-([1,1'-Biphenyl]-3-yl)-N-((1R,2S)-2-acrylamidocy...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485462
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(S)-(6-isobu...)
Show SMILES CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-9.27,5.67,;-7.94,4.9,;-7.94,3.36,;-6.61,5.67,;-5.27,4.9,;-3.94,5.67,;-2.6,4.9,;-1.27,5.67,;-2.6,3.36,;-3.94,2.59,;-5.27,3.36,;-1.27,2.59,;-1.27,1.05,;-2.6,.28,;-2.6,-1.26,;-1.27,-2.03,;.06,-1.26,;1.53,-1.74,;2.43,-.49,;3.97,-.52,;4.72,-1.87,;4.77,.8,;6.31,.8,;7.21,2.04,;8.68,1.57,;8.68,.03,;7.21,-.45,;6.74,-1.91,;7.77,-3.06,;9.27,-2.74,;7.29,-4.52,;8.32,-5.67,;1.4,1.05,;1.4,2.59,;.06,3.36,;.06,4.9,;.06,.28,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485529
PNG
(N-((1R,3S)-3-Acrylamidocyclopentyl)-5-(*S)-(6-(cyc...)
Show SMILES Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,27.31,(-3.07,4.81,;-4.4,4.04,;-5.74,4.81,;-7.07,4.04,;-8.4,4.81,;-9.74,4.04,;-11.07,4.81,;-12.22,3.78,;-11.59,2.37,;-10.06,2.53,;-7.07,2.5,;-5.74,1.73,;-4.4,2.5,;-3.07,1.73,;-3.07,.19,;-4.4,-.58,;-4.4,-2.12,;-3.07,-2.89,;-1.74,-2.12,;-.25,-2.52,;.69,-1.11,;2.23,-1.11,;3,.75,;3,-2.44,;4.54,-2.44,;5.44,-1.19,;6.91,-1.67,;6.91,-3.21,;5.44,-3.69,;8.15,-4.12,;9.64,-3.72,;10.04,-2.23,;10.73,-4.81,;12.22,-4.41,;-.4,.19,;-.4,1.73,;-1.74,2.5,;-1.74,4.04,;-1.74,-.58,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485532
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(4-((6-methy...)
Show SMILES Cc1cccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485272
PNG
(5-([1,1'-Biphenyl]-3-yl)-N-((1R,2S)-2-acrylamidocy...)
Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485369
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(6-phe...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485341
PNG
(N-((1R,3R)-3-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-10.96,3.85,;-12.3,3.08,;-12.3,1.54,;-10.96,.77,;-9.63,1.54,;-6.96,1.54,;-5.63,.77,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.5,-2.22,;6.96,-1.75,;6.96,-.21,;5.5,.27,;8.3,.56,;9.63,-.21,;9.63,-1.75,;10.96,.56,;12.3,-.21,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485522
PNG
(N-((1R,3S)-3-Acrylamidocyclopentyl)-5-(*S)-(4-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,28.32,(-5.65,-.77,;-5.65,.77,;-6.99,1.54,;-6.99,3.08,;-8.32,3.85,;-9.65,3.08,;-10.99,3.85,;-12.32,3.08,;-12.32,1.54,;-10.99,.77,;-9.65,1.54,;-5.65,3.85,;-4.32,3.08,;-4.32,1.54,;-2.99,.77,;-2.99,-.77,;-4.32,-1.54,;-4.32,-3.08,;-2.99,-3.85,;-1.65,-3.08,;-.19,-3.56,;.77,-2.02,;2.31,-2.02,;3.08,-3.35,;3.08,-.69,;4.62,-.69,;5.52,.56,;6.99,.08,;6.99,-1.46,;5.52,-1.93,;8.32,-2.23,;9.65,-1.46,;9.65,.08,;10.99,-2.23,;12.32,-1.46,;-.32,-.77,;-.32,.77,;-1.65,1.54,;-1.65,3.08,;-1.65,-1.54,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485553
PNG
(5-(*S)-(4-Methyl-6-phenoxypyridin-3-yl)-4-oxo-N-((...)
Show SMILES CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,5.4,(10.63,4.26,;10.79,2.73,;9.55,1.82,;8.14,2.45,;9.71,.29,;8.46,-.61,;8.46,-2.15,;7,-2.63,;6.09,-1.38,;7,-.14,;4.55,-1.38,;3.78,-2.72,;4.55,-4.05,;2.24,-2.72,;1.34,-3.96,;-.13,-3.49,;-1.46,-4.26,;-2.79,-3.49,;-2.79,-1.95,;-1.46,-1.18,;-1.46,.36,;-2.79,1.13,;-4.13,.36,;-5.46,1.13,;-5.46,2.67,;-6.79,3.44,;-8.13,2.67,;-9.46,3.44,;-10.79,2.67,;-10.79,1.13,;-9.46,.36,;-8.13,1.13,;-4.13,3.44,;-2.79,2.67,;-1.46,3.44,;-.13,1.13,;-.13,2.67,;1.21,.36,;1.21,-1.18,;-.13,-1.95,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485474
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-4-oxo-5-(2- ph...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485470
PNG
(N-((1*S,3*S)-3-Acrylamidocyclopentyl)-5-(*S)-(4-me...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-5.63,-.77,;-5.63,.77,;-6.96,1.54,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-10.96,3.85,;-12.3,3.08,;-12.3,1.54,;-10.96,.77,;-9.63,1.54,;-5.63,3.85,;-4.29,3.08,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.5,.27,;6.96,-.21,;6.96,-1.75,;5.5,-2.22,;8.3,-2.52,;9.63,-1.75,;9.63,-.21,;10.96,-2.52,;12.3,-1.75,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
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n/an/a 9.12n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485278
PNG
(5-(*S)-(2-Methyl-4-phenoxyphenyl)-N-((1R,2R)-2-(2-...)
Show SMILES CNCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:10.11,(11.27,-5.21,;9.79,-5.6,;8.7,-4.52,;7.21,-4.91,;6.81,-6.4,;6.12,-3.82,;6.52,-2.34,;7.98,-1.86,;7.98,-.32,;6.52,.15,;5.61,-1.09,;4.07,-1.09,;3.3,.24,;4.07,1.58,;1.76,.24,;.86,-1,;-.61,-.53,;-1.94,-1.3,;-3.27,-.53,;-3.27,1.01,;-1.94,1.78,;-1.94,3.32,;-3.27,4.09,;-4.61,3.32,;-5.94,4.09,;-5.94,5.63,;-7.27,6.4,;-8.61,5.63,;-9.94,6.4,;-11.27,5.63,;-11.27,4.09,;-9.94,3.32,;-8.61,4.09,;-4.61,6.4,;-3.27,5.63,;-1.94,6.4,;-.61,4.09,;-.61,5.63,;.73,3.32,;.73,1.78,;-.61,1.01,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485370
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(6-cyclo...)
Show SMILES Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,28.31,(-3.73,1.57,;-3.73,3.11,;-5.07,3.88,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-3.73,6.19,;-2.4,5.42,;-2.4,3.88,;-1.07,3.11,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
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n/an/a 9.33n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485339
PNG
(N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(4-methy...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,1.13,;-3.32,2.67,;-4.65,3.44,;-4.65,4.98,;-5.98,5.75,;-7.32,4.98,;-8.65,5.75,;-9.98,4.98,;-9.98,3.44,;-8.65,2.67,;-7.32,3.44,;-3.32,5.75,;-1.98,4.98,;-1.98,3.44,;-.65,2.67,;-.65,1.13,;-1.98,.36,;-1.98,-1.18,;-.65,-1.95,;.68,-1.18,;2.15,-1.66,;3.05,-.41,;4.59,-.41,;5.36,-1.75,;5.36,.92,;6.9,.92,;7.67,2.25,;9.21,2.25,;9.98,.92,;9.21,-.41,;7.67,-.41,;6.9,-1.75,;7.67,-3.08,;9.21,-3.08,;6.9,-4.41,;7.67,-5.75,;2.02,1.13,;2.02,2.67,;.68,3.44,;.68,4.98,;.68,.36,)|
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Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485601
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(3-isopropyl...)
Show SMILES CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
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n/an/a 9.55n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)


BindingDB Entry DOI: 10.7270/Q2FT8Q4F
More data for this
Ligand-Target Pair
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