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Patent code US9884868

Compile Data Set for Download or QSAR

Found 605 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type I


(Homo sapiens)
BDBM283066
PNG
(6-(1-(1-cyanocyclopropyl)-4-(4-fluorophenyl)-1H- i...)
Show SMILES Fc1ccc(cc1)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C1(CC1)C#N
Show InChI InChI=1S/C20H12FN7/c21-14-3-1-13(2-4-14)18-19(27(12-25-18)20(11-23)7-8-20)16-5-6-17-24-10-15(9-22)28(17)26-16/h1-6,10,12H,7-8H2
PDB

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UniProtKB/SwissProt

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n/an/a 0.300n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282914
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...)
Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27)
PDB

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n/an/a 0.400n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282817
PNG
(6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FN6/c1-12(2)25-11-23-18(13-3-5-14(20)6-4-13)19(25)16-7-8-17-22-10-15(9-21)26(17)24-16/h3-8,10-12H,1-2H3
PDB

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n/an/a 0.400n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282899
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(3-fluorocyclobut...)
Show SMILES FC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H13ClF2N6/c21-15-5-11(1-2-16(15)23)19-20(28(10-26-19)13-6-12(22)7-13)17-3-4-18-25-9-14(8-24)29(18)27-17/h1-5,9-10,12-13H,6-7H2
PDB

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n/an/a 0.5n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282968
PNG
(6-(1-cyclobutyl-4-(4-fluorophenyl)-1H-imidazol-5- ...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN5O/c22-15-7-4-13(5-8-15)19-20(27(12-25-19)16-2-1-3-16)14-6-9-18-24-10-17(21(23)28)26(18)11-14/h4-12,16H,1-3H2,(H2,23,28)
PDB

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n/an/a 0.5n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282966
PNG
(6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN5O/c1-12(2)26-11-24-18(13-3-6-15(21)7-4-13)19(26)14-5-8-17-23-9-16(20(22)27)25(17)10-14/h3-12H,1-2H3,(H2,22,27)
PDB

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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282963
PNG
(6-(1-(1-cyclopropylethyl)-4-(4-fluorophenyl)-1H- i...)
Show SMILES CC(C1CC1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5O/c1-13(14-2-3-14)28-12-26-20(15-4-7-17(23)8-5-15)21(28)16-6-9-19-25-10-18(22(24)29)27(19)11-16/h4-14H,2-3H2,1H3,(H2,24,29)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282947
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroprop...)
Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClF3N6O/c1-19(22,23)8-28-9-26-16(10-2-3-12(21)11(20)6-10)17(28)13-4-5-15-25-7-14(18(24)30)29(15)27-13/h2-7,9H,8H2,1H3,(H2,24,30)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282844
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-isopropyl-1H- imi...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClFN6/c1-11(2)26-10-24-18(12-3-4-15(21)14(20)7-12)19(26)16-5-6-17-23-9-13(8-22)27(17)25-16/h3-7,9-11H,1-2H3
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282932
PNG
(6-(1-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H- i...)
Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282970
PNG
(6-(1-(sec-butyl)-4-(4-fluorophenyl)-1H-imidazol-5-...)
Show SMILES CCC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN5O/c1-3-13(2)27-12-25-19(14-4-7-16(22)8-5-14)20(27)15-6-9-18-24-10-17(21(23)28)26(18)11-15/h4-13H,3H2,1-2H3,(H2,23,28)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282820
PNG
(6-(4-(4-fluorophenyl)-1-(3- (hydroxymethyl)cyclobu...)
Show SMILES OCC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN6O/c22-15-3-1-14(2-4-15)20-21(27(12-25-20)16-7-13(8-16)11-29)18-5-6-19-24-10-17(9-23)28(19)26-18/h1-6,10,12-13,16,29H,7-8,11H2
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283030
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethy...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282833
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-cylcobutylethy...)
Show SMILES Fc1ccc(cc1Cl)-c1ncn(CCC2CCC2)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C22H18ClFN6/c23-17-10-15(4-5-18(17)24)21-22(29(13-27-21)9-8-14-2-1-3-14)19-6-7-20-26-12-16(11-25)30(20)28-19/h4-7,10,12-14H,1-3,8-9H2
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282912
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...)
Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H14ClFN6O/c1-2-25-9-23-16(10-3-4-12(20)11(19)7-10)17(25)13-5-6-15-22-8-14(18(21)27)26(15)24-13/h3-9H,2H2,1H3,(H2,21,27)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283007
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES CONC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F3N6O2/c1-30-26-19(29)14-8-23-16-7-6-13(25-28(14)16)18-17(11-2-4-12(20)5-3-11)24-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,26,29)
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283047
PNG
(6-(1-(2,2-difluoroethyl)-4-(2-hydroxyphenyl)-1H- i...)
Show SMILES Oc1ccccc1-c1ncn(CC(F)F)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C18H12F2N6O/c19-15(20)9-25-10-23-17(12-3-1-2-4-14(12)27)18(25)13-5-6-16-22-8-11(7-21)26(16)24-13/h1-6,8,10,15,27H,9H2
PDB

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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282907
PNG
(6-(1-ethyl-4-(4-fluorophenyl)-1H-imidazol-5- yl)im...)
Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN6O/c1-2-24-10-22-16(11-3-5-12(19)6-4-11)17(24)13-7-8-15-21-9-14(18(20)26)25(15)23-13/h3-10H,2H2,1H3,(H2,20,26)
PDB

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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282930
PNG
(6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN6O/c1-11(2)25-10-23-17(12-3-5-13(20)6-4-12)18(25)14-7-8-16-22-9-15(19(21)27)26(16)24-14/h3-11H,1-2H3,(H2,21,27)
PDB

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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282933
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroyxethyl)-...)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCO)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H14ClFN6O2/c19-11-7-10(1-2-12(11)20)16-17(25(5-6-27)9-23-16)13-3-4-15-22-8-14(18(21)28)26(15)24-13/h1-4,7-9,27H,5-6H2,(H2,21,28)
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283013
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C(F)F)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12F5N5/c19-11-3-1-10(2-4-11)16-17(27(9-25-16)8-14(20)21)12-5-6-15-24-7-13(18(22)23)28(15)26-12/h1-7,9,14,18H,8H2
PDB

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n/an/a 0.800n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282953
PNG
(6-(1-(cylcobutylmethyl)-4-(4-fluorophenyl)-1H- imi...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC1CCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5O/c23-17-7-4-15(5-8-17)20-21(27(13-26-20)11-14-2-1-3-14)16-6-9-19-25-10-18(22(24)29)28(19)12-16/h4-10,12-14H,1-3,11H2,(H2,24,29)
PDB

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n/an/a 0.800n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282852
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-cyclobutyl-1H- im...)
Show SMILES Fc1ccc(cc1Cl)-c1ncn(C2CCC2)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C20H14ClFN6/c21-15-8-12(4-5-16(15)22)19-20(27(11-25-19)13-2-1-3-13)17-6-7-18-24-10-14(9-23)28(18)26-17/h4-8,10-11,13H,1-3H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282906
PNG
(6-(1-(2-fluoroethyl)-4-(4-fluorophenyl)-1H-imidazo...)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCF)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14F2N6O/c19-7-8-25-10-23-16(11-1-3-12(20)4-2-11)17(25)13-5-6-15-22-9-14(18(21)27)26(15)24-13/h1-6,9-10H,7-8H2,(H2,21,27)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282936
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(3-fluorocyclobut...)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1C1CC(F)C1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H15ClF2N6O/c21-13-5-10(1-2-14(13)23)18-19(28(9-26-18)12-6-11(22)7-12)15-3-4-17-25-8-16(20(24)30)29(17)27-15/h1-5,8-9,11-12H,6-7H2,(H2,24,30)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282856
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-cyclopropyleth...)
Show SMILES Fc1ccc(cc1Cl)-c1ncn(CCC2CC2)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C21H16ClFN6/c22-16-9-14(3-4-17(16)23)20-21(28(12-26-20)8-7-13-1-2-13)18-5-6-19-25-11-15(10-24)29(19)27-18/h3-6,9,11-13H,1-2,7-8H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282956
PNG
(6-(1-ethyl-4-(4-fluorophenyl)-1H-imidazol-5- yl)im...)
Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN5O/c1-2-24-11-23-17(12-3-6-14(20)7-4-12)18(24)13-5-8-16-22-9-15(19(21)26)25(16)10-13/h3-11H,2H2,1H3,(H2,21,26)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282955
PNG
(6-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5O/c23-16-8-5-14(6-9-16)20-21(28(13-26-20)17-3-1-2-4-17)15-7-10-19-25-11-18(22(24)29)27(19)12-15/h5-13,17H,1-4H2,(H2,24,29)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282850
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroprop...)
Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H12ClF3N6/c1-19(22,23)9-28-10-26-17(11-2-3-14(21)13(20)6-11)18(28)15-4-5-16-25-8-12(7-24)29(16)27-15/h2-6,8,10H,9H2,1H3
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282848
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(3-fluoropropyl)-...)
Show SMILES FCCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H13ClF2N6/c20-14-8-12(2-3-15(14)22)18-19(27(11-25-18)7-1-6-21)16-4-5-17-24-10-13(9-23)28(17)26-16/h2-5,8,10-11H,1,6-7H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282855
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-chloroethyl)-1...)
Show SMILES Fc1ccc(cc1Cl)-c1ncn(CCCl)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C18H11Cl2FN6/c19-5-6-26-10-24-17(11-1-2-14(21)13(20)7-11)18(26)15-3-4-16-23-9-12(8-22)27(16)25-15/h1-4,7,9-10H,5-6H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283083
PNG
(6-(2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2- ...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(nc2CCCn12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O/c21-14-6-3-12(4-7-14)18-19(25-9-1-2-17(25)24-18)13-5-8-16-23-10-15(20(22)27)26(16)11-13/h3-8,10-11H,1-2,9H2,(H2,22,27)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283004
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES CNC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F3N6O/c1-23-19(29)14-8-24-16-7-6-13(26-28(14)16)18-17(11-2-4-12(20)5-3-11)25-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,23,29)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282900
PNG
(6-(4-(3-Chlorophenyl)-2-methyl-1H-imidazol-5- yl)q...)
Show SMILES Cc1nc(c([nH]1)-c1ccc2ncccc2c1)-c1cccc(Cl)c1
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282911
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-isopropyl-1H- imi...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H16ClFN6O/c1-10(2)26-9-24-17(11-3-4-13(21)12(20)7-11)18(26)14-5-6-16-23-8-15(19(22)28)27(16)25-14/h3-10H,1-2H3,(H2,22,28)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283015
PNG
(5-(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H-...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(-c3cnco3)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H13F3N6O/c21-13-3-1-12(2-4-13)19-20(28(10-26-19)9-17(22)23)14-5-6-18-25-7-15(29(18)27-14)16-8-24-11-30-16/h1-8,10-11,17H,9H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282834
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(1- methylcyclopr...)
Show SMILES CC1(CC1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H14ClFN6/c1-20(6-7-20)27-11-25-18(12-2-3-15(22)14(21)8-12)19(27)16-4-5-17-24-10-13(9-23)28(17)26-16/h2-5,8,10-11H,6-7H2,1H3
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282908
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethy...)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClF3N6O/c19-10-5-9(1-2-11(10)20)16-17(27(8-25-16)7-14(21)22)12-3-4-15-24-6-13(18(23)29)28(15)26-12/h1-6,8,14H,7H2,(H2,23,29)
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282845
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...)
Show SMILES CCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6/c1-2-25-10-23-17(11-3-4-14(20)13(19)7-11)18(25)15-5-6-16-22-9-12(8-21)26(16)24-15/h3-7,9-10H,2H2,1H3
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282832
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-((cis)-3- hydroxy...)
Show SMILES O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H14ClFN6O/c21-15-5-11(1-2-16(15)22)19-20(27(10-25-19)12-6-14(29)7-12)17-3-4-18-24-9-13(8-23)28(18)26-17/h1-5,9-10,12,14,29H,6-7H2/t12-,14+
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282858
PNG
((R)-6-(4-(3-chloro-4-fluorophenyl)-1-(3,3- difluor...)
Show SMILES Fc1ccc(cc1Cl)-c1ncn([C@@H]2CCC(F)(F)C2)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C21H14ClF3N6/c22-15-7-12(1-2-16(15)23)19-20(30(11-28-19)13-5-6-21(24,25)8-13)17-3-4-18-27-10-14(9-26)31(18)29-17/h1-4,7,10-11,13H,5-6,8H2/t13-/m1/s1
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282827
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-fluoroethyl)-1...)
Show SMILES FCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H11ClF2N6/c19-13-7-11(1-2-14(13)21)17-18(26(6-5-20)10-24-17)15-3-4-16-23-9-12(8-22)27(16)25-15/h1-4,7,9-10H,5-6H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282831
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)...)
Show SMILES OCCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClFN6O/c20-14-8-12(2-3-15(14)21)18-19(26(11-24-18)6-1-7-28)16-4-5-17-23-10-13(9-22)27(17)25-16/h2-5,8,10-11,28H,1,6-7H2
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282821
PNG
((R)-6-(4-(4-fluorophenyl)-1-(4,4,4-trifluoro-1- hy...)
Show SMILES OC[C@@H](CC(F)(F)F)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14F4N6O/c21-13-3-1-12(2-4-13)18-19(29(11-27-18)14(10-31)7-20(22,23)24)16-5-6-17-26-9-15(8-25)30(17)28-16/h1-6,9,11,14,31H,7,10H2/t14-/m1/s1
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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283058
PNG
(6-(1-(2,2-difluoroethyl)-4-(3- (trifluoromethoxy)p...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H11F5N6O/c20-15(21)9-29-10-27-17(11-2-1-3-13(6-11)31-19(22,23)24)18(29)14-4-5-16-26-8-12(7-25)30(16)28-14/h1-6,8,10,15H,9H2
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n/an/a 1n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282826
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethy...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H10ClF3N6/c19-12-5-10(1-2-13(12)20)17-18(27(9-25-17)8-15(21)22)14-3-4-16-24-7-11(6-23)28(16)26-14/h1-5,7,9,15H,8H2
PDB

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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283034
PNG
(6-(4-(5-chloro-2,4-difluorophenyl)-1-(2,2- difluor...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C19H12ClF4N5O/c20-11-3-10(12(21)4-13(11)22)17-18(28(8-27-17)7-15(23)24)9-1-2-16-26-5-14(19(25)30)29(16)6-9/h1-6,8,15H,7H2,(H2,25,30)
PDB

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Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283032
PNG
(6-(1-(2,2-difluoroethyl)-4-(2,4-difluorophenyl)-1H...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H13F4N5O/c20-11-2-3-12(13(21)5-11)17-18(27(9-26-17)8-15(22)23)10-1-4-16-25-6-14(19(24)29)28(16)7-10/h1-7,9,15H,8H2,(H2,24,29)
PDB

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n/an/a 1n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM283033
PNG
(6-(4-(5-chloro-2-fluorophenyl)-1-(2,2-difluoroethy...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C19H13ClF3N5O/c20-11-2-3-13(21)12(5-11)17-18(27(9-26-17)8-15(22)23)10-1-4-16-25-6-14(19(24)29)28(16)7-10/h1-7,9,15H,8H2,(H2,24,29)
PDB

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n/an/a 1.10n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM282973
PNG
(6-(4-(4-fluorophenyl)-1-propyl-1H-imidazol-5- yl)i...)
Show SMILES CCCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN5O/c1-2-9-25-12-24-18(13-3-6-15(21)7-4-13)19(25)14-5-8-17-23-10-16(20(22)27)26(17)11-14/h3-8,10-12H,2,9H2,1H3,(H2,22,27)
PDB

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UniProtKB/SwissProt

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n/an/a 1.10n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)

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