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Compile Data Set for Download or QSAR

Found 1093 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528203
PNG
(CHEMBL4434694)
Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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n/an/a<2n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 R258G mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280366
PNG
(2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-N-{1H-py...)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
Show InChI InChI=1S/C21H16ClFN4/c22-13-3-4-17(23)15(9-13)19-10-20(16(11-26-19)12-1-2-12)27-18-6-8-25-21-14(18)5-7-24-21/h3-12H,1-2H2,(H2,24,25,26,27)
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n/an/a 2.70n/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 US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280366
PNG
(2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-N-{1H-py...)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
Show InChI InChI=1S/C21H16ClFN4/c22-13-3-4-17(23)15(9-13)19-10-20(16(11-26-19)12-1-2-12)27-18-6-8-25-21-14(18)5-7-24-21/h3-12H,1-2H2,(H2,24,25,26,27)
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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)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528190
PNG
(CHEMBL4548795)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human ALK4 using casein as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528196
PNG
(CHEMBL4575655)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27FN4O2/c1-16-20(17-4-6-19(7-5-17)30-10-8-29(2)9-11-30)14-28-15-21(16)18-12-22(26)24(25(27)31)23(13-18)32-3/h4-7,12-15H,8-11H2,1-3H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528209
PNG
(CHEMBL4526828)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2C[C@H](C)N(C)[C@H](C)C2)c1C
Show InChI InChI=1S/C28H34N4O3/c1-17-15-32(16-18(2)31(17)4)22-9-7-20(8-10-22)23-13-30-14-24(19(23)3)21-11-25(34-5)27(28(29)33)26(12-21)35-6/h7-14,17-18H,15-16H2,1-6H3,(H2,29,33)/t17-,18+
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay


J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280370
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{1H-...)
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280369
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{7H-...)
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280370
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{1H-...)
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)
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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 US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280369
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{7H-...)
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)
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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 US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528203
PNG
(CHEMBL4434694)
Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 R258G mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528195
PNG
(CHEMBL4435320)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528208
PNG
(CHEMBL4440168)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 4.30n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280365
PNG
(4-{[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrid...)
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
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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 US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280365
PNG
(4-{[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrid...)
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
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n/an/a 4.80n/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)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528204
PNG
(CHEMBL4565968)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H28N4O3/c1-16-20(17-4-6-19(7-5-17)29-10-8-27-9-11-29)14-28-15-21(16)18-12-22(31-2)24(25(26)30)23(13-18)32-3/h4-7,12-15,27H,8-11H2,1-3H3,(H2,26,30)
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n/an/a 5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528190
PNG
(CHEMBL4548795)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
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n/an/a 5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528205
PNG
(CHEMBL4468389)
Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(C)C)c1C
Show InChI InChI=1S/C28H34N4O3/c1-18(2)31-10-12-32(13-11-31)22-8-6-20(7-9-22)23-16-30-17-24(19(23)3)21-14-25(34-4)27(28(29)33)26(15-21)35-5/h6-9,14-18H,10-13H2,1-5H3,(H2,29,33)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451772
PNG
(US10710980, Example 4)
Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM50528203
PNG
(CHEMBL4434694)
Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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n/an/a 5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451769
PNG
(US10710980, Example 1)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C29H39N5O4S/c1-39(37,38)34-12-10-24(11-13-34)33-17-22-15-29(22,18-33)21-4-2-19(3-5-21)20-14-26(27(30)31-16-20)28(36)32-23-6-8-25(35)9-7-23/h2-5,14,16,22-25,35H,6-13,15,17-18H2,1H3,(H2,30,31)(H,32,36)/t22-,23-,25-,29+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM50528188
PNG
(CHEMBL4553210)
Show SMILES COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)
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n/an/a 5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528190
PNG
(CHEMBL4548795)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
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n/an/a 6n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
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n/an/a 6n/an/an/an/an/an/a



Massachusetts Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]


J Med Chem 57: 7900-15 (2014)


Article DOI: 10.1021/jm501177w
BindingDB Entry DOI: 10.7270/Q2PK0HS6
More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451789
PNG
(US10710980, Example 21)
Show SMILES Nc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](F)C1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1
Show InChI InChI=1S/C28H35FN4O3/c29-24-12-21(5-6-25(24)34)32-27(35)23-11-18(14-31-26(23)30)17-1-3-19(4-2-17)28-13-20(28)15-33(16-28)22-7-9-36-10-8-22/h1-4,11,14,20-22,24-25,34H,5-10,12-13,15-16H2,(H2,30,31)(H,32,35)/t20-,21-,24+,25-,28+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM50528190
PNG
(CHEMBL4548795)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
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n/an/a 6n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 R258G mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499)


(Homo sapiens (Human))
BDBM451806
PNG
(US10710980, Example 38)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2
Show InChI InChI=1S/C27H34N4O3/c28-25-24(26(33)30-22-5-7-23(32)8-6-22)9-19(11-29-25)18-1-3-20(4-2-18)27-10-21(27)13-31(16-27)12-17-14-34-15-17/h1-4,9,11,17,21-23,32H,5-8,10,12-16H2,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM50528208
PNG
(CHEMBL4440168)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK2 R258G mutant (unknown origin)


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499)


(Homo sapiens (Human))
BDBM451772
PNG
(US10710980, Example 4)
Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451788
PNG
(US10710980, Example 20)
Show SMILES COCCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451798
PNG
(US10710980, Example 30)
Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1
Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
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n/an/a 7n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK2 by LanthaScreen Binding assay


J Med Chem 58: 5437-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00734
BindingDB Entry DOI: 10.7270/Q25B047D
More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451806
PNG
(US10710980, Example 38)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2
Show InChI InChI=1S/C27H34N4O3/c28-25-24(26(33)30-22-5-7-23(32)8-6-22)9-19(11-29-25)18-1-3-20(4-2-18)27-10-21(27)13-31(16-27)12-17-14-34-15-17/h1-4,9,11,17,21-23,32H,5-8,10,12-16H2,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451773
PNG
(US10710980, Example 5)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2
Show InChI InChI=1S/C30H41N5O3/c31-28-27(29(37)33-25-6-8-26(36)9-7-25)16-22(18-32-28)21-2-4-23(5-3-21)30-17-24(30)19-35(20-30)11-1-10-34-12-14-38-15-13-34/h2-5,16,18,24-26,36H,1,6-15,17,19-20H2,(H2,31,32)(H,33,37)/t24-,25-,26-,30+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM143311
PNG
(US10017516, Compound 11 | US9682983, 11)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
Show InChI InChI=1S/C28H28N6/c1-18-12-25(24-6-4-5-7-27(24)32-18)26-16-31-33-17-22(15-30-28(26)33)21-8-10-23(11-9-21)34-19(2)13-29-14-20(34)3/h4-12,15-17,19-20,29H,13-14H2,1-3H3/t19-,20+
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n/an/a 7.70n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE® Ultra ULight technology (Perkin Elmer) against ...


US Patent US10017516 (2018)


BindingDB Entry DOI: 10.7270/Q20P12CN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM143311
PNG
(US10017516, Compound 11 | US9682983, 11)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
Show InChI InChI=1S/C28H28N6/c1-18-12-25(24-6-4-5-7-27(24)32-18)26-16-31-33-17-22(15-30-28(26)33)21-8-10-23(11-9-21)34-19(2)13-29-14-20(34)3/h4-12,15-17,19-20,29H,13-14H2,1-3H3/t19-,20+
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n/an/a 7.70n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499)


(Homo sapiens (Human))
BDBM451805
PNG
(US10710980, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM50528208
PNG
(CHEMBL4440168)
Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30)
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n/an/a 8n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
More data for this
Ligand-Target Pair
Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499)


(Homo sapiens (Human))
BDBM451769
PNG
(US10710980, Example 1)
Show SMILES CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C29H39N5O4S/c1-39(37,38)34-12-10-24(11-13-34)33-17-22-15-29(22,18-33)21-4-2-19(3-5-21)20-14-26(27(30)31-16-20)28(36)32-23-6-8-25(35)9-7-23/h2-5,14,16,22-25,35H,6-13,15,17-18H2,1H3,(H2,30,31)(H,32,36)/t22-,23-,25-,29+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499)


(Homo sapiens (Human))
BDBM451775
PNG
(US10710980, Example 7)
Show SMILES COCCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)NC12CCC(O)(CC1)CC2
Show InChI InChI=1S/C28H36N4O3/c1-35-13-12-32-17-22-15-28(22,18-32)21-4-2-19(3-5-21)20-14-23(24(29)30-16-20)25(33)31-26-6-9-27(34,10-7-26)11-8-26/h2-5,14,16,22,34H,6-13,15,17-18H2,1H3,(H2,29,30)(H,31,33)/t22-,26?,27?,28+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451805
PNG
(US10710980, Example 37)
Show SMILES CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C27H32N4O2/c1-2-3-12-31-16-21-14-27(21,17-31)20-6-4-18(5-7-20)19-13-24(25(28)29-15-19)26(33)30-22-8-10-23(32)11-9-22/h4-7,13,15,21-23,32H,8-12,14,16-17H2,1H3,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451819
PNG
(US10710980, Example 48)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2
Show InChI InChI=1S/C25H31FN4O2/c26-9-10-30-14-19-12-25(19,15-30)18-3-1-16(2-4-18)17-11-22(23(27)28-13-17)24(32)29-20-5-7-21(31)8-6-20/h1-4,11,13,19-21,31H,5-10,12,14-15H2,(H2,27,28)(H,29,32)/t19-,20-,21-,25+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

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


(Homo sapiens (Human))
BDBM161920
PNG
(US10017516, Compound 53 | US9682983, 52 | US968298...)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C27H26N6/c1-18-13-28-14-19(2)33(18)22-10-8-20(9-11-22)21-15-30-27-25(16-31-32(27)17-21)23-5-3-7-26-24(23)6-4-12-29-26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
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n/an/a 8n/an/an/an/a7.5n/a



The Brigham and Women's Hospital, Inc.

US Patent


Assay Description
Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor-like kinase 2 (ALK-2)(aa 172-499)


(Homo sapiens (Human))
BDBM451781
PNG
(US10710980, Example 13)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCN1CCOCC1)C2
Show InChI InChI=1S/C29H39N5O3/c30-27-26(28(36)32-24-5-7-25(35)8-6-24)15-21(17-31-27)20-1-3-22(4-2-20)29-16-23(29)18-34(19-29)10-9-33-11-13-37-14-12-33/h1-4,15,17,23-25,35H,5-14,16,18-19H2,(H2,30,31)(H,32,36)/t23-,24-,25-,29+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)

More data for this
Ligand-Target Pair
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