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Compile Data Set for Download or QSAR

Found 2515 hits Enz. Inhib. hit(s) with Target = 'ALK5'   
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))
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.300n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
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
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.390n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.400n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.400n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.470n/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)

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
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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)
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n/an/a 0.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
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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n/an/a 0.520n/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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355198
PNG
(CHEMBL1835530)
Show SMILES COc1ccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
Show InChI InChI=1S/C23H19N7OS/c1-15-4-3-5-20(26-15)22-19(16-6-11-21-24-14-25-29(21)12-16)13-30(28-22)23(32)27-17-7-9-18(31-2)10-8-17/h3-14H,1-2H3,(H,27,32)
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n/an/a 0.570n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
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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n/an/a 0.580n/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)

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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n/an/a 0.580n/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)

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
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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n/an/a 0.590n/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)

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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n/an/a 0.590n/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)

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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n/an/a 0.600n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
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n/an/a 0.600n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
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n/an/a 0.600n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
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n/an/a 0.600n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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)
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n/an/a 0.600n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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=1/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)
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n/an/a 0.600n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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)
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Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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)
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Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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)
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Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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=1/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)
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Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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)
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n/an/a 0.700n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
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Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.700n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.700n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.700n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc

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)


Article DOI: 10.1021/jm0499108
BindingDB Entry DOI: 10.7270/Q20P122M
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)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
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)

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)
PDB
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UniChem
US Patent
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406800
PNG
(4-{[2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4...)
Show SMILES NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
Show InChI InChI=1S/C17H13N7O/c18-15(25)11-10-19-8-6-12(11)21-17-14-5-3-9-24(14)23-16(22-17)13-4-1-2-7-20-13/h1-10H,(H2,18,25)(H,19,21,22,23)
PDB
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UniChem
US Patent
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)

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)
PDB
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PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406782
PNG
(3-fluoro-N-[2-(5-fluoropyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Fc1ccc(nc1)-c1nc(Nc2ccncc2F)c2cccn2n1
Show InChI InChI=1S/C16H10F2N6/c17-10-3-4-13(20-8-10)15-22-16(14-2-1-7-24(14)23-15)21-12-5-6-19-9-11(12)18/h1-9H,(H,19,21,22,23)
PDB
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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 0.790n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM407054
PNG
(3-cyano-N-[4-({2-[6-(trifluoromethyl)pyridin-2-yl]...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CCC#N)c2)c2cccn2n1
Show InChI InChI=1S/C21H15F3N8O/c22-21(23,24)16-6-1-4-14(28-16)19-30-20(15-5-3-11-32(15)31-19)27-13-8-10-26-17(12-13)29-18(33)7-2-9-25/h1,3-6,8,10-12H,2,7H2,(H2,26,27,29,30,31,33)
PDB
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UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/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)

More data for this
Ligand-Target Pair
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