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Compile Data Set for Download or QSAR

Found 1691 hits with Last Name = 'harikrishnan' and Initial = 'ls'   
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-1


(Homo sapiens (Human))
BDBM412734
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50454871
PNG
(CHEMBL4209835)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2nc[nH]c2n1
Show InChI InChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412755
PNG
(N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C19H14F3N7O/c1-10(30)25-15-9-11(5-7-23-15)26-17-12-6-8-24-16(12)28-18(29-17)13-3-2-4-14(27-13)19(20,21)22/h2-9H,1H3,(H3,23,24,25,26,28,29,30)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412745
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...)
Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406730
PNG
(N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1
Show InChI InChI=1S/C19H15F2N7O/c1-11(29)23-16-10-12(7-8-22-16)24-19-15-6-3-9-28(15)27-18(26-19)14-5-2-4-13(25-14)17(20)21/h2-10,17H,1H3,(H2,22,23,24,26,27,29)
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n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406730
PNG
(N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1
Show InChI InChI=1S/C19H15F2N7O/c1-11(29)23-16-10-12(7-8-22-16)24-19-15-6-3-9-28(15)27-18(26-19)14-5-2-4-13(25-14)17(20)21/h2-10,17H,1H3,(H2,22,23,24,26,27,29)
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n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407009
PNG
(N-(4-{[5-(morpholin-4-ylmethyl)-2-(pyridin-2-yl)py...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCOCC4)c23)-c2ccccn2)ccn1
Show InChI InChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32)
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406793
PNG
(N-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(6-met...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCC(F)(F)CC3)ccn2n1
Show InChI InChI=1S/C23H22F3N7/c1-15-3-2-4-19(28-15)21-30-22(29-18-5-9-27-13-17(18)24)20-16(6-10-33(20)31-21)14-32-11-7-23(25,26)8-12-32/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,27,29,30,31)
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406951
PNG
(1-({[2-(5-fluoropyridin-2-yl)-4-[(3-fluoropyridin-...)
Show SMILES CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccc(F)cn1
Show InChI InChI=1S/C21H21F2N7O/c1-21(2,31)12-25-9-13-6-8-30-18(13)20(27-16-5-7-24-11-15(16)23)28-19(29-30)17-4-3-14(22)10-26-17/h3-8,10-11,25,31H,9,12H2,1-2H3,(H,24,27,28,29)
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n/an/a<0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412735
PNG
(2-(6-(difluoromethyl)pyridin-2-yl)-N-(3-fluoropyri...)
Show SMILES FC(F)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H11F3N6/c18-10-8-21-6-5-11(10)24-16-9-4-7-22-15(9)25-17(26-16)13-3-1-2-12(23-13)14(19)20/h1-8,14H,(H2,21,22,24,25,26)
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412768
PNG
(N-(3-fluoropyridin-4-yl)-5-methyl-2-(6-methylpyrid...)
Show SMILES Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(C)n1
Show InChI InChI=1S/C18H15FN6/c1-10-8-21-17-15(10)18(23-13-6-7-20-9-12(13)19)25-16(24-17)14-5-3-4-11(2)22-14/h3-9H,1-2H3,(H2,20,21,23,24,25)
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407012
PNG
((3-{[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-...)
Show SMILES OCC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)COC1
Show InChI InChI=1S/C22H22FN7O2/c23-16-10-24-7-4-17(16)27-21-19-15(9-25-11-22(12-31)13-32-14-22)5-8-30(19)29-20(28-21)18-3-1-2-6-26-18/h1-8,10,25,31H,9,11-14H2,(H,24,27,28,29)
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n/an/a<0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412743
PNG
(N-(3-fluoropyridin-4-yl)-2-(pyridin-2-yl)-7H-pyrro...)
Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1ccccn1
Show InChI InChI=1S/C16H11FN6/c17-11-9-18-7-5-12(11)21-15-10-4-8-20-14(10)22-16(23-15)13-3-1-2-6-19-13/h1-9H,(H2,18,20,21,22,23)
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n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406957
PNG
(3-fluoro-N-(5-{[(1-methylcyclobutyl)amino]methyl}-...)
Show SMILES CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1
Show InChI InChI=1S/C23H24FN7/c1-23(8-4-9-23)15-26-13-16-7-12-31-20(16)22(28-18-6-11-25-14-17(18)24)29-21(30-31)19-5-2-3-10-27-19/h2-3,5-7,10-12,14,26H,4,8-9,13,15H2,1H3,(H,25,28,29,30)
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407043
PNG
(2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-({2-[6-(tri...)
Show SMILES O[C@@H]1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)C1 |r|
Show InChI InChI=1S/C23H21F3N8O2/c24-23(25,26)18-5-1-3-16(29-18)21-31-22(17-4-2-9-34(17)32-21)28-14-6-8-27-19(11-14)30-20(36)13-33-10-7-15(35)12-33/h1-6,8-9,11,15,35H,7,10,12-13H2,(H2,27,28,30,31,32,36)/t15-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407051
PNG
(N-[4-({2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cccn2n1
Show InChI InChI=1S/C21H16F3N7O/c22-21(23,24)16-5-1-3-14(27-16)18-29-19(15-4-2-10-31(15)30-18)26-13-8-9-25-17(11-13)28-20(32)12-6-7-12/h1-5,8-12H,6-7H2,(H2,25,26,28,29,30,32)
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412766
PNG
(N-(4-((2-(6-(difluoromethyl)pyridin-2-yl)-7H-pyrro...)
Show SMILES CC(=O)Nc1nccc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)c1F
Show InChI InChI=1S/C19H14F3N7O/c1-9(30)25-19-14(20)11(6-8-24-19)27-17-10-5-7-23-16(10)28-18(29-17)13-4-2-3-12(26-13)15(21)22/h2-8,15H,1H3,(H3,23,24,25,27,28,29,30)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406787
PNG
(3-chloro-N-[2-(6-fluoropyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Fc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Show InChI InChI=1S/C16H10ClFN6/c17-10-9-19-7-6-11(10)21-16-13-4-2-8-24(13)23-15(22-16)12-3-1-5-14(18)20-12/h1-9H,(H,19,21,22,23)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406741
PNG
(N-[4-({5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(p...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCC(F)(F)CC4)c23)-c2ccccn2)ccn1
Show InChI InChI=1S/C24H24F2N8O/c1-16(35)29-20-14-18(5-10-28-20)30-23-21-17(15-33-12-7-24(25,26)8-13-33)6-11-34(21)32-22(31-23)19-4-2-3-9-27-19/h2-6,9-11,14H,7-8,12-13,15H2,1H3,(H2,28,29,30,31,32,35)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407010
PNG
(N-(5-{[(2H-1,3-benzodioxol-5-ylmethyl)amino]methyl...)
Show SMILES Fc1cnccc1Nc1nc(nn2ccc(CNCc3ccc4OCOc4c3)c12)-c1ccccn1
Show InChI InChI=1S/C25H20FN7O2/c26-18-14-27-9-6-19(18)30-25-23-17(13-28-12-16-4-5-21-22(11-16)35-15-34-21)7-10-33(23)32-24(31-25)20-3-1-2-8-29-20/h1-11,14,28H,12-13,15H2,(H,27,30,31,32)
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412738
PNG
(2-(pyrrolidin-1-yl)-N-(4-((2-(6-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCC3)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C23H21F3N8O/c24-23(25,26)17-5-3-4-16(30-17)22-32-20-15(7-9-28-20)21(33-22)29-14-6-8-27-18(12-14)31-19(35)13-34-10-1-2-11-34/h3-9,12H,1-2,10-11,13H2,(H3,27,28,29,31,32,33,35)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406783
PNG
(N-{2-[6-(difluoromethyl)-5-fluoropyridin-2-yl]pyrr...)
Show SMILES FC(F)c1nc(ccc1F)-c1nc(Nc2ccncc2F)c2cccn2n1
Show InChI InChI=1S/C17H10F4N6/c18-9-3-4-12(23-14(9)15(20)21)16-25-17(13-2-1-7-27(13)26-16)24-11-5-6-22-8-10(11)19/h1-8,15H,(H,22,24,25,26)
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n/an/a 0.460n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406991
PNG
(3-[4-({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Show InChI InChI=1S/C27H25FN8O/c28-22-17-29-10-7-23(22)31-27-25-19(8-11-36(25)33-26(32-27)24-6-1-2-9-30-24)18-34-12-14-35(15-13-34)20-4-3-5-21(37)16-20/h1-11,16-17,37H,12-15,18H2,(H,29,31,32,33)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406968
PNG
((3S)-1-({4-[(3-fluoropyridin-4-yl)amino]-2-(6-meth...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CC[C@H](O)C3)ccn2n1 |r|
Show InChI InChI=1S/C22H22FN7O/c1-14-3-2-4-19(25-14)21-27-22(26-18-5-8-24-11-17(18)23)20-15(6-10-30(20)28-21)12-29-9-7-16(31)13-29/h2-6,8,10-11,16,31H,7,9,12-13H2,1H3,(H,24,26,27,28)/t16-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406990
PNG
(4-[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-...)
Show SMILES CC(O)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Show InChI InChI=1S/C21H22FN7O/c1-14(30)5-9-23-12-15-7-11-29-19(15)21(26-17-6-10-24-13-16(17)22)27-20(28-29)18-4-2-3-8-25-18/h2-4,6-8,10-11,13-14,23,30H,5,9,12H2,1H3,(H,24,26,27,28)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412739
PNG
(2-(4-methylpiperazin-1-yl)-N-(4-((2-(6-(trifluorom...)
Show SMILES CN1CCN(CC(=O)Nc2cc(Nc3nc(nc4[nH]ccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
Show InChI InChI=1S/C24H24F3N9O/c1-35-9-11-36(12-10-35)14-20(37)32-19-13-15(5-7-28-19)30-22-16-6-8-29-21(16)33-23(34-22)17-3-2-4-18(31-17)24(25,26)27/h2-8,13H,9-12,14H2,1H3,(H3,28,29,30,32,33,34,37)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412745
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...)
Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)
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n/an/a 0.550n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412745
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...)
Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)
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n/an/a 0.560n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406959
PNG
(1-({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-y...)
Show SMILES OC1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Show InChI InChI=1S/C22H22FN7O/c23-17-13-24-9-4-18(17)26-22-20-15(14-29-10-6-16(31)7-11-29)5-12-30(20)28-21(27-22)19-3-1-2-8-25-19/h1-5,8-9,12-13,16,31H,6-7,10-11,14H2,(H,24,26,27,28)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407017
PNG
(3-fluoro-N-[2-(pyridin-2-yl)-5-({[2-(pyridin-2-yl)...)
Show SMILES CC(C)(NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C25H23FN8/c1-25(2,21-8-4-6-12-29-21)30-15-17-10-14-34-22(17)24(31-19-9-13-27-16-18(19)26)32-23(33-34)20-7-3-5-11-28-20/h3-14,16,30H,15H2,1-2H3,(H,27,31,32,33)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406721
PNG
(3-chloro-N-[2-(5-fluoropyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Fc1ccc(nc1)-c1nc(Nc2ccncc2Cl)c2cccn2n1
Show InChI InChI=1S/C16H10ClFN6/c17-11-9-19-6-5-12(11)21-16-14-2-1-7-24(14)23-15(22-16)13-4-3-10(18)8-20-13/h1-9H,(H,19,21,22,23)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406967
PNG
((3S)-1-({2-[6-(difluoromethyl)pyridin-2-yl]-4-[(3-...)
Show SMILES O[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2cccc(n2)C(F)F)C1 |r|
Show InChI InChI=1S/C22H20F3N7O/c23-15-10-26-7-4-16(15)28-22-19-13(11-31-8-6-14(33)12-31)5-9-32(19)30-21(29-22)18-3-1-2-17(27-18)20(24)25/h1-5,7,9-10,14,20,33H,6,8,11-12H2,(H,26,28,29,30)/t14-/m0/s1
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412773
PNG
(N-methyl-N-{2-[6-(trifluoromethyl)pyridin-2-yl]-7H...)
Show SMILES CN(c1ccncc1)c1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N6/c1-27(11-5-8-22-9-6-11)17-12-7-10-23-15(12)25-16(26-17)13-3-2-4-14(24-13)18(19,20)21/h2-10H,1H3,(H,23,25,26)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337332
PNG
(2-(4-chlorophenyl)-1-(4-(4-(5-methyl-1H-pyrazol-3-...)
Show SMILES Cc1cc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2ccc(Cl)cc2)[nH]n1
Show InChI InChI=1S/C22H23ClN8O/c1-15-13-19(27-26-15)24-21-18-3-2-8-31(18)28-22(25-21)30-11-9-29(10-12-30)20(32)14-16-4-6-17(23)7-5-16/h2-8,13H,9-12,14H2,1H3,(H2,24,25,26,27,28)
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 mins


Bioorg Med Chem Lett 21: 1425-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412775
PNG
(3-chloro-N-{2-[6-(trifluoromethyl)pyridin-2-yl]-7H...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cc[nH]c2n1
Show InChI InChI=1S/C17H10ClF3N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407046
PNG
(2-[(2-hydroxy-2-methylpropyl)amino]-N-[4-({2-[6-(t...)
Show SMILES CC(C)(O)CNCC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C23H23F3N8O2/c1-22(2,36)13-27-12-19(35)31-18-11-14(8-9-28-18)29-21-16-6-4-10-34(16)33-20(32-21)15-5-3-7-17(30-15)23(24,25)26/h3-11,27,36H,12-13H2,1-2H3,(H2,28,29,31,32,33,35)
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Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412746
PNG
(2-(5-fluoro-6-methylpyridin-2-yl)-N-(3-fluoropyrid...)
Show SMILES Cc1nc(ccc1F)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H12F2N6/c1-9-11(18)2-3-14(22-9)17-24-15-10(4-7-21-15)16(25-17)23-13-5-6-20-8-12(13)19/h2-8H,1H3,(H2,20,21,23,24,25)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412747
PNG
(2-(6-(difluoromethyl)pyridin-2-yl)-4-(1H-pyrrolo[3...)
Show SMILES FC(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cc[nH]c2n1
Show InChI InChI=1S/C19H12F2N6/c20-16(21)13-2-1-3-14(24-13)18-25-17-12(4-8-23-17)19(26-18)27-9-6-11-10-22-7-5-15(11)27/h1-10,16H,(H,23,25,26)
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n/an/a 0.640n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412774
PNG
(3-(trifluoromethyl)-N-{2-[6-(trifluoromethyl)pyrid...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2C(F)(F)F)c2cc[nH]c2n1
Show InChI InChI=1S/C18H10F6N6/c19-17(20,21)10-8-25-6-5-11(10)28-15-9-4-7-26-14(9)29-16(30-15)12-2-1-3-13(27-12)18(22,23)24/h1-8H,(H2,25,26,28,29,30)
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n/an/a 0.640n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412755
PNG
(N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C19H14F3N7O/c1-10(30)25-15-9-11(5-7-23-15)26-17-12-6-8-24-16(12)28-18(29-17)13-3-2-4-14(27-13)19(20,21)22/h2-9H,1H3,(H3,23,24,25,26,28,29,30)
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n/an/a 0.670n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406956
PNG
(1-{2-[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin...)
Show SMILES OC1(CCNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCCC1
Show InChI InChI=1S/C24H26FN7O/c25-18-16-26-12-6-19(18)29-23-21-17(15-27-13-10-24(33)8-2-3-9-24)7-14-32(21)31-22(30-23)20-5-1-4-11-28-20/h1,4-7,11-12,14,16,27,33H,2-3,8-10,13,15H2,(H,26,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412734
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412751
PNG
(N-(4-((2-(6-(difluoromethyl)pyridin-2-yl)-7H-pyrro...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)c(F)cn1
Show InChI InChI=1S/C19H14F3N7O/c1-9(30)25-15-7-14(11(20)8-24-15)27-18-10-5-6-23-17(10)28-19(29-18)13-4-2-3-12(26-13)16(21)22/h2-8,16H,1H3,(H3,23,24,25,27,28,29,30)
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n/an/a 0.710n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406734
PNG
(N-(3-fluoropyridin-4-yl)-2-(4-(trifluoromethyl)thi...)
Show SMILES Fc1cnccc1Nc1nc(nn2cccc12)-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C15H8F4N6S/c16-8-6-20-4-3-9(8)21-12-10-2-1-5-25(10)24-13(23-12)14-22-11(7-26-14)15(17,18)19/h1-7H,(H,20,21,23,24)
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n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412759
PNG
(N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...)
Show SMILES CCC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C20H16F3N7O/c1-2-16(31)28-15-10-11(6-8-24-15)26-18-12-7-9-25-17(12)29-19(30-18)13-4-3-5-14(27-13)20(21,22)23/h3-10H,2H2,1H3,(H3,24,25,26,28,29,30,31)
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n/an/a 0.740n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412778
PNG
(N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]-5-{[(2-h...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]cc(CNCC(C)(C)O)c23)-c2cccc(n2)C(F)F)ccn1
Show InChI InChI=1S/C24H26F2N8O2/c1-13(35)30-18-9-15(7-8-28-18)31-23-19-14(10-27-12-24(2,3)36)11-29-22(19)33-21(34-23)17-6-4-5-16(32-17)20(25)26/h4-9,11,20,27,36H,10,12H2,1-3H3,(H3,28,29,30,31,33,34,35)
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n/an/a 0.75n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406958
PNG
(3-fluoro-N-(5-{[(4-methyloxan-4-yl)amino]methyl}-2...)
Show SMILES CC1(CCOCC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Show InChI InChI=1S/C23H24FN7O/c1-23(7-12-32-13-8-23)27-14-16-6-11-31-20(16)22(28-18-5-10-25-15-17(18)24)29-21(30-31)19-4-2-3-9-26-19/h2-6,9-11,15,27H,7-8,12-14H2,1H3,(H,25,28,29,30)
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n/an/a<0.760n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406977
PNG
(3-fluoro-N-[2-(3-fluoro-6-methylpyridin-2-yl)pyrro...)
Show SMILES Cc1ccc(F)c(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Show InChI InChI=1S/C17H12F2N6/c1-10-4-5-11(18)15(21-10)17-23-16(14-3-2-8-25(14)24-17)22-13-6-7-20-9-12(13)19/h2-9H,1H3,(H,20,22,23,24)
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n/an/a<0.760n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412752
PNG
(US10399987, Example 17 | methyl (4-((2-(6-(difluor...)
Show SMILES COC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)ccn1
Show InChI InChI=1S/C19H15F2N7O2/c1-30-19(29)26-14-9-10(5-7-22-14)24-17-11-6-8-23-16(11)27-18(28-17)13-4-2-3-12(25-13)15(20)21/h2-9,15H,1H3,(H3,22,23,24,26,27,28,29)
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n/an/a 0.760n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412741
PNG
(2-(6-(difluoromethyl)pyridin-2-yl)-N-(3-fluoropyri...)
Show SMILES Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(n1)C(F)F
Show InChI InChI=1S/C18H13F3N6/c1-9-7-23-17-14(9)18(25-11-5-6-22-8-10(11)19)27-16(26-17)13-4-2-3-12(24-13)15(20)21/h2-8,15H,1H3,(H2,22,23,25,26,27)
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Bristol-Myer Squibb Company

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
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