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Compile Data Set for Download or QSAR

Found 43 hits of Enz. Inhib. data with enzyme = 'Activin receptor type-1' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Activin receptor type-1


(Homo sapiens)
BDBM280369
PNG
(Synthesis of 2-(5-chloro-2-fluorophenyl)-5-(propan...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1
Show InChI InChI=1S/C28H25ClFN5O/c1-17(2)23-14-31-25(22-12-19(29)6-9-24(22)30)13-26(23)34-27-21-10-11-35(28(21)33-16-32-27)15-18-4-7-20(36-3)8-5-18/h4-14,16-17H,15H2,1-3H3,(H,31,32,33,34)
PDB

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UniProtKB/SwissProt

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DrugBank
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UniChem
n/an/a 5.45E+3n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280366
PNG
(Synthesis of 2-(5-chloro-2-fluorophenyl)-5-cyclopr...)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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UniChem
n/an/a 5.84E+3n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280370
PNG
(Synthesis of 2-(5-chloro-2-fluorophenyl)-5-(propan...)
Show SMILES COc1ccc(Cn2ncc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H24ClFN6O/c1-16(2)21-12-30-24(20-10-18(28)6-9-23(20)29)11-25(21)34-26-22-13-33-35(27(22)32-15-31-26)14-17-4-7-19(36-3)8-5-17/h4-13,15-16H,14H2,1-3H3,(H,30,31,32,34)
PDB

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n/an/a 8.93E+3n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280345
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H23ClFN5O2/c1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30/h4-7,9-13,30H,8H2,1-3H3,(H,27,31)(H,25,26,28,29)/t13-/m0/s1
PDB

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n/an/a 9.97E+3n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280367
PNG
(Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-(py...)
Show SMILES OCC(CO)NC(=O)c1cnccc1Nc1cc(ncc1N1CCCC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H25ClFN5O3/c25-15-3-4-19(26)17(9-15)21-10-22(23(12-28-21)31-7-1-2-8-31)30-20-5-6-27-11-18(20)24(34)29-16(13-32)14-33/h3-6,9-12,16,32-33H,1-2,7-8,13-14H2,(H,29,34)(H,27,28,30)
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280368
PNG
(Synthesis of 2-(5-chloro-2-fluorophenyl)-5-(prop-1...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)N1CCCC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H22ClFN4O/c1-15(2)18-14-28-22(17-11-16(25)5-6-20(17)26)12-23(18)29-21-7-8-27-13-19(21)24(31)30-9-3-4-10-30/h5-8,11-14H,1,3-4,9-10H2,2H3,(H,27,28,29)
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280365
PNG
(Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-cyc...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22ClFN4O2/c1-13(30)10-28-23(31)18-11-26-7-6-20(18)29-22-9-21(27-12-17(22)14-2-3-14)16-8-15(24)4-5-19(16)25/h4-9,11-14,30H,2-3,10H2,1H3,(H,28,31)(H,26,27,29)/t13-/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280340
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
PDB

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n/an/a 1.04E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280339
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H21ClFN5O2/c1-12(2)16-10-26-19(15-6-14(23)4-5-18(15)24)7-20(16)29-21-17(9-25-11-28-21)22(31)27-8-13(3)30/h4-7,9-11,13,30H,1,8H2,2-3H3,(H,27,31)(H,25,26,28,29)/t13-/m0/s1
PDB

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n/an/a 1.06E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280341
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/m0/s1
PDB

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UniChem
n/an/a 1.09E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280348
PNG
(Synthesis of N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chlo...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H21ClFN5O2/c1-12(2)15-10-27-19(14-7-13(23)3-4-17(14)24)8-20(15)29-18-5-6-26-9-16(18)22(31)28-11-21(25)30/h3-10,12H,11H2,1-2H3,(H2,25,30)(H,28,31)(H,26,27,29)
PDB

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n/an/a 1.14E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280363
PNG
(Synthesis of 2-(3-fluoropyridin-2-yl)-5-(propan-2-...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1
Show InChI InChI=1S/C28H26FN5O/c1-18(2)22-16-32-26(27-23(29)5-4-12-30-27)15-25(22)33-24-10-13-31-28-21(24)11-14-34(28)17-19-6-8-20(35-3)9-7-19/h4-16,18H,17H2,1-3H3,(H,31,32,33)
PDB

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n/an/a 6.06E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280364
PNG
(Synthesis of 2-(3-fluoropyridin-2-yl)-5-(propan-2-...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)
PDB

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n/an/a 7.30E+4n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280342
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES C[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,14,30H,1,12H2,2-3H3,(H,28,31)(H,26,27,29)/t14-/m1/s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280343
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC(C)(C)CO)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H24ClFN4O2/c1-14(2)17-12-28-21(16-9-15(25)5-6-19(16)26)10-22(17)29-20-7-8-27-11-18(20)23(32)30-24(3,4)13-31/h5-12,31H,1,13H2,2-4H3,(H,30,32)(H,27,28,29)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280344
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES CCc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H22ClFN4O2/c1-3-14-11-26-21(16-8-15(23)4-5-18(16)24)9-20(14)28-19-6-7-25-12-17(19)22(30)27-10-13(2)29/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,30)(H,25,26,28)/t13-/m0/s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280356
PNG
(Synthesis of 4-[[2-amino-6-(5-chloro-2-fluoro-phen...)
Show SMILES COC(=O)c1cnccc1Nc1cc(nc(NC(=O)OC(C)(C)C)c1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C26H26ClFN4O4/c1-14(2)22-21(30-19-9-10-29-13-17(19)24(33)35-6)12-20(16-11-15(27)7-8-18(16)28)31-23(22)32-25(34)36-26(3,4)5/h7-13H,1H2,2-6H3,(H2,29,30,31,32,34)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280346
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-me...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280347
PNG
(Synthesis of N-(2-acetamidoethyl)-4-[[2-(5-chloro-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(C)=O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H25ClFN5O2/c1-14(2)18-13-30-22(17-10-16(25)4-5-20(17)26)11-23(18)31-21-6-7-27-12-19(21)24(33)29-9-8-28-15(3)32/h4-7,10-14H,8-9H2,1-3H3,(H,28,32)(H,29,33)(H,27,30,31)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280357
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES CC[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H24ClFN4O2/c1-4-16(13-31)29-24(32)19-11-27-8-7-21(19)30-23-10-22(28-12-18(23)14(2)3)17-9-15(25)5-6-20(17)26/h5-12,16,31H,2,4,13H2,1,3H3,(H,29,32)(H,27,28,30)/t16-/m0/s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280358
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-vi...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C25H26ClFN4O2/c1-14(2)18-12-29-22(17-9-16(26)5-6-20(17)27)10-23(18)30-21-7-8-28-11-19(21)25(33)31-24(13-32)15(3)4/h5-12,15,24,32H,1,13H2,2-4H3,(H,31,33)(H,28,29,30)/t24-/m0/s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280359
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-vi...)
Show SMILES CC(C)[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C25H26ClFN4O2/c1-14(2)18-12-29-22(17-9-16(26)5-6-20(17)27)10-23(18)30-21-7-8-28-11-19(21)25(33)31-24(13-32)15(3)4/h5-12,15,24,32H,1,13H2,2-4H3,(H,31,33)(H,28,29,30)/t24-/m1/s1
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280360
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H20ClFN4O2/c1-13(2)16-12-27-20(15-9-14(23)3-4-18(15)24)10-21(16)28-19-5-6-25-11-17(19)22(30)26-7-8-29/h3-6,9-12,29H,1,7-8H2,2H3,(H,26,30)(H,25,27,28)
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280361
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280335
PNG
(US10030004, Compound CE-1)
Show SMILES CC(O)CNC(=O)c1cnccc1Nc1nc(ccc1C(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H24ClFN4O2/c1-13(2)16-5-7-20(17-10-15(24)4-6-19(17)25)28-22(16)29-21-8-9-26-12-18(21)23(31)27-11-14(3)30/h4-10,12-14,30H,11H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280337
PNG
(Synthesis of (S)-4-[[2-(5-chloro-2-fluoro-phenyl)-...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H24ClFN4O2/c1-13(2)17-12-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-11-18(20)23(31)28-10-14(3)30/h4-9,11-14,30H,10H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280338
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22ClFN4O2/c1-13(2)17-12-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-11-18(20)23(31)28-10-14(3)30/h4-9,11-12,14,30H,1,10H2,2-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280336
PNG
(Synthesis of 4-[[5-bromo-2-(5-chloro-2-fluoro-phen...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)/t11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280362
PNG
(Synthesis of N-[(2S)-2-hydroxypropyl]-4-{[2-phenyl...)
Show SMILES CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-15(2)18-14-25-21(17-7-5-4-6-8-17)11-22(18)27-20-9-10-24-13-19(20)23(29)26-12-16(3)28/h4-11,13-16,28H,12H2,1-3H3,(H,26,29)(H,24,25,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280355
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NC(CO)CO)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H24ClFN4O3/c1-13(2)17-10-27-21(16-7-14(24)3-4-19(16)25)8-22(17)29-20-5-6-26-9-18(20)23(32)28-15(11-30)12-31/h3-10,13,15,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280354
PNG
(Synthesis of 3-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280353
PNG
(Synthesis of 3-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
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n/an/a>1.00E+6n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280352
PNG
(Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fl...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C27H31ClFN5O3/c1-16(2)19-15-33-23(18-12-17(28)6-7-21(18)29)13-24(19)34-22-8-9-30-14-20(22)25(35)31-10-11-32-26(36)37-27(3,4)5/h6-9,12-16H,10-11H2,1-5H3,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280351
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-is...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNS(C)(=O)=O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H25ClFN5O3S/c1-14(2)17-13-28-21(16-10-15(24)4-5-19(16)25)11-22(17)30-20-6-7-26-12-18(20)23(31)27-8-9-29-34(3,32)33/h4-7,10-14,29H,8-9H2,1-3H3,(H,27,31)(H,26,28,30)
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280350
PNG
(Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-(1...)
Show SMILES COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM280349
PNG
(Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1N(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H23ClFN5O2/c1-13(30)10-27-22(31)16-11-25-7-6-18(16)28-20-9-19(26-12-21(20)29(2)3)15-8-14(23)4-5-17(15)24/h4-9,11-13,30H,10H2,1-3H3,(H,27,31)(H,25,26,28)/t13-/m0/s1
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Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)

More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/an/a 1.90E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 4.70E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/an/a 5.90E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1
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n/an/an/a 1.90E+6n/an/an/an/an/a



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Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 6.20E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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n/an/an/a 1.70E+6n/an/an/an/an/a



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Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 1.50E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VX0DW9
More data for this
Ligand-Target Pair