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Patent code US11020398

Compile Data Set for Download or QSAR

Found 376 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM499813
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...)
Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB

GoogleScholar
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US Patent
n/an/a 0.370n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM499811
PNG
(US11020398, Compound I-123)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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US Patent
n/an/a 0.390n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499813
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...)
Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB
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n/an/a 0.560n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499813
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...)
Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB
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n/an/a 0.560n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499810
PNG
(N-((S)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoy...)
Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 0.770n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM499814
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...)
Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB

GoogleScholar
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US Patent
n/an/a 0.790n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499811
PNG
(US11020398, Compound I-123)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 0.850n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499811
PNG
(US11020398, Compound I-123)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 0.850n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499838
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((R)-1- ...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 0.930n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499976
PNG
((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...)
Show SMILES Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC3CCCN3C(=O)C=C)c12
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n/an/a 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499924
PNG
(N-(4-chloro-3-(4-(((3R,6S)-6- (hydroxymethyl)tetra...)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4cc5CCCCc5cn4)ccc3Cl)c12
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n/an/a 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499974
PNG
((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...)
Show SMILES CC#CC(=O)N1CCCC1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499869
PNG
(N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...)
Show SMILES CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB
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n/an/a 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499890
PNG
((S)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...)
Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12
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n/an/a 1n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499991
PNG
(US11020398, Compound I-360e | racemic-cis-(2-chlor...)
Show SMILES CN1[C@H](CO)CCC[C@@H]1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.07n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499892
PNG
(N-((S)-1-((2S,5R)-5-((5-(2-methyl-4- phenoxybenzoy...)
Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12
PDB
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n/an/a 1.10n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499854
PNG
((4-(((3R,6S)-6-((S)-1- aminoethyl)tetrahydro-2H-py...)
Show SMILES C[C@H](N)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.10n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499881
PNG
((S)-N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-p...)
Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499839
PNG
(N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...)
Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.30n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499855
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((S)-1- ...)
Show SMILES C[C@@H]([C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)N(C)C
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n/an/a 1.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499891
PNG
(2-hydroxy-2-methyl-N-(cis-4-((5-(4- phenoxybenzoyl...)
Show SMILES CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12
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n/an/a 1.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499888
PNG
((2-chloro-4-phenoxyphenyl)(4-((cis-4- hydroxy-4-me...)
Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499889
PNG
((2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxy-4-...)
Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499882
PNG
(N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...)
Show SMILES CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499870
PNG
((2-chloro-4-(3- fluorophenoxy)phenyl)(4-(((3R,6S)-...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(F)c4)cc3Cl)c12
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n/an/a 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499885
PNG
((4-(((3R,6S)-6-((R)-1- hydroxyethyl)tetrahydro-2H-...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12
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n/an/a 1.60n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499893
PNG
(N-(((2S,5R)-5-((5-(4-phenoxybenzoyl)- 7H-pyrrolo[2...)
Show SMILES CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12
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n/an/a 1.60n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499815
PNG
(N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)-7H-...)
Show SMILES CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.63n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499876
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-(2-hydro...)
Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499865
PNG
((2-chloro-4-phenoxyphenyl)(4-((trans- 4-((dimethyl...)
Show SMILES CN(C)C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499857
PNG
((2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxycyc...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499868
PNG
(US11020398, Compound I-180 | rac-(2-chloro-4-pheno...)
Show SMILES O[C@H]1CC[C@@H](C[C@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.80n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499894
PNG
((R)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...)
Show SMILES C[C@@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12
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n/an/a 1.80n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499867
PNG
(US11020398, Compound I-179 | rac-(2-chloro-4-pheno...)
Show SMILES O[C@@H]1CC[C@@H](C[C@@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.80n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499790
PNG
(N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]p...)
Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12
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n/an/a 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499898
PNG
((S)-N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)...)
Show SMILES C[C@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499739
PNG
(1-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]p...)
Show SMILES Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3=O)c12
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n/an/a 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499904
PNG
((R)-N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)...)
Show SMILES C[C@@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499731
PNG
((2-chlorophenyl)(4-((cis-4- (methylamino)cyclohexy...)
Show SMILES CN[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12
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n/an/a 2.10n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499829
PNG
((4-((cis-4-aminocyclohexyl)amino)-7H- pyrrolo[2,3-...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 2.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499883
PNG
(N-((R)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoy...)
Show SMILES C[C@@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB
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n/an/a 2.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499871
PNG
((2-chloro-4-(3- chlorophenoxy)phenyl)(4-(((3R,6S)-...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(Cl)c4)cc3Cl)c12
PDB
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n/an/a 2.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499757
PNG
((2-chlorophenyl)(4-((cis-4-(pyrrolidin- 1-yl)cyclo...)
Show SMILES Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3)c12
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n/an/a 2.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499866
PNG
((2-chloro-4-phenoxyphenyl)(4-((cis-4- ((dimethylam...)
Show SMILES CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 2.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499773
PNG
((S)-N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3...)
Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12
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n/an/a 2.30n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499827
PNG
(N-(cis-4-((5-(4-phenoxybenzoyl)-7H- pyrrolo[2,3-d]...)
Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12
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n/an/a 2.30n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499814
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...)
Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
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n/an/a 2.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499814
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...)
Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB
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n/an/a 2.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499901
PNG
((R)-N-((S)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybe...)
Show SMILES C[C@@H](O)C(=O)N[C@@H](C)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
PDB
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n/an/a 2.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499864
PNG
((2S,5R)-N-((R)-2,3-dihydroxypropyl)-5- ((5-(4-phen...)
Show SMILES OC[C@H](O)CNC(=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12
PDB
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n/an/a 2.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)

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