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Compile Data Set for Download or QSAR

Found 395 hits with Last Name = 'wilson' and Initial = 'bj'   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256467
PNG
(CHEMBL448668 | N-(2,6-difluorophenyl)-3-(3-(2-(3-(...)
Show SMILES CN(C)CCOc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1
Show InChI InChI=1S/C34H29F2N7O2/c1-42(2)18-19-45-25-11-6-10-24(21-25)38-34-37-16-15-28(39-34)32-30(40-29-14-3-4-17-43(29)32)22-8-5-9-23(20-22)33(44)41-31-26(35)12-7-13-27(31)36/h3-17,20-21H,18-19H2,1-2H3,(H,41,44)(H,37,38,39)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256469
PNG
((S)-N-(2,6-difluorophenyl)-3-(3-(2-(3-(3-(dimethyl...)
Show SMILES CN(C)C[C@H](O)COc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1 |r|
Show InChI InChI=1S/C35H31F2N7O3/c1-43(2)20-25(45)21-47-26-11-6-10-24(19-26)39-35-38-16-15-29(40-35)33-31(41-30-14-3-4-17-44(30)33)22-8-5-9-23(18-22)34(46)42-32-27(36)12-7-13-28(32)37/h3-19,25,45H,20-21H2,1-2H3,(H,42,46)(H,38,39,40)/t25-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256472
PNG
(CHEMBL502652 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C40H38F2N8O3/c1-52-34-25-29(48-18-14-28(15-19-48)49-20-22-53-23-21-49)11-12-32(34)44-40-43-16-13-33(45-40)38-36(46-35-10-2-3-17-50(35)38)26-6-4-7-27(24-26)39(51)47-37-30(41)8-5-9-31(37)42/h2-13,16-17,24-25,28H,14-15,18-23H2,1H3,(H,47,51)(H,43,44,45)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256473
PNG
(CHEMBL502198 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C40H38F2N8O2/c1-52-34-25-29(49-22-16-28(17-23-49)48-19-4-5-20-48)13-14-32(34)44-40-43-18-15-33(45-40)38-36(46-35-12-2-3-21-50(35)38)26-8-6-9-27(24-26)39(51)47-37-30(41)10-7-11-31(37)42/h2-3,6-15,18,21,24-25,28H,4-5,16-17,19-20,22-23H2,1H3,(H,47,51)(H,43,44,45)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256474
PNG
((R)-N-(2,6-difluorophenyl)-3-(3-(2-(4-(4-(3-fluoro...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C40H37F3N8O2/c1-53-34-23-29(49-20-15-28(16-21-49)50-19-14-27(41)24-50)11-12-32(34)45-40-44-17-13-33(46-40)38-36(47-35-10-2-3-18-51(35)38)25-6-4-7-26(22-25)39(52)48-37-30(42)8-5-9-31(37)43/h2-13,17-18,22-23,27-28H,14-16,19-21,24H2,1H3,(H,48,52)(H,44,45,46)/t27-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256475
PNG
(CHEMBL449110 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C41H41F2N9O2/c1-49-21-23-51(24-22-49)29-15-19-50(20-16-29)30-12-13-33(35(26-30)54-2)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256470
PNG
(3-(3-(2-(4-(1,4'-bipiperidin-1'-yl)phenylamino)pyr...)
Show SMILES Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)n1
Show InChI InChI=1S/C40H38F2N8O/c41-32-10-7-11-33(42)37(32)47-39(51)28-9-6-8-27(26-28)36-38(50-23-5-2-12-35(50)46-36)34-17-20-43-40(45-34)44-29-13-15-30(16-14-29)49-24-18-31(19-25-49)48-21-3-1-4-22-48/h2,5-17,20,23,26,31H,1,3-4,18-19,21-22,24-25H2,(H,47,51)(H,43,44,45)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256471
PNG
(3-(3-(2-(4-(1,4'-bipiperidin-1'-yl)-2-methoxypheny...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C41H40F2N8O2/c1-53-35-26-30(50-23-17-29(18-24-50)49-20-4-2-5-21-49)14-15-33(35)45-41-44-19-16-34(46-41)39-37(47-36-13-3-6-22-51(36)39)27-9-7-10-28(25-27)40(52)48-38-31(42)11-8-12-32(38)43/h3,6-16,19,22,25-26,29H,2,4-5,17-18,20-21,23-24H2,1H3,(H,48,52)(H,44,45,46)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256410
PNG
(CHEMBL447668 | N-(2,6-difluorophenyl)-3-(3-(2-(3-(...)
Show SMILES CN(C)CCCc1ccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)cc1
Show InChI InChI=1S/C35H31F2N7O/c1-43(2)20-7-8-23-14-16-26(17-15-23)39-35-38-19-18-29(40-35)33-31(41-30-13-3-4-21-44(30)33)24-9-5-10-25(22-24)34(45)42-32-27(36)11-6-12-28(32)37/h3-6,9-19,21-22H,7-8,20H2,1-2H3,(H,42,45)(H,38,39,40)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544399
PNG
(CHEMBL4638273)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
Show InChI InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256477
PNG
(3-(3-(2-(4-(4-(4-acetylpiperazin-1-yl)piperidin-1-...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C42H41F2N9O3/c1-27(54)50-21-23-52(24-22-50)30-15-19-51(20-16-30)31-12-13-34(36(26-31)56-2)46-42-45-17-14-35(47-42)40-38(48-37-11-3-4-18-53(37)40)28-7-5-8-29(25-28)41(55)49-39-32(43)9-6-10-33(39)44/h3-14,17-18,25-26,30H,15-16,19-24H2,1-2H3,(H,49,55)(H,45,46,47)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544408
PNG
(CHEMBL4641207)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(=O)N(C)C)c1C
Show InChI InChI=1S/C28H34N4O4/c1-19-23(17-29-18-24(19)21-15-25(34-4)27(36-6)26(16-21)35-5)20-7-9-22(10-8-20)31-11-13-32(14-12-31)28(33)30(2)3/h7-10,15-18H,11-14H2,1-6H3
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n/an/a 4n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256468
PNG
(CHEMBL500003 | N-(2,6-difluorophenyl)-3-(3-(2-(4-(...)
Show SMILES Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)n1
Show InChI InChI=1S/C36H31F2N7O2/c37-28-7-4-8-29(38)33(28)43-35(46)26-6-3-5-25(23-26)32-34(45-17-2-1-9-31(45)42-32)30-14-16-39-36(41-30)40-27-12-10-24(11-13-27)15-18-44-19-21-47-22-20-44/h1-14,16-17,23H,15,18-22H2,(H,43,46)(H,39,40,41)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256476
PNG
(CHEMBL454796 | N-(2,6-difluorophenyl)-3-(3-(2-(4-(...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C42H42F2N8O3/c1-26-24-51(25-27(2)55-26)30-16-20-50(21-17-30)31-13-14-34(36(23-31)54-3)46-42-45-18-15-35(47-42)40-38(48-37-12-4-5-19-52(37)40)28-8-6-9-29(22-28)41(53)49-39-32(43)10-7-11-33(39)44/h4-15,18-19,22-23,26-27,30H,16-17,20-21,24-25H2,1-3H3,(H,49,53)(H,45,46,47)/t26-,27+
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544414
PNG
(CHEMBL4641530)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28|
Show InChI InChI=1S/C26H28N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-9,13-16,27H,10-12H2,1-4H3
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Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged insulin receptor expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G328V mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544418
PNG
(CHEMBL4648102)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C26H30N2O4/c1-17-22(18-5-7-20(8-6-18)32-21-9-11-27-12-10-21)15-28-16-23(17)19-13-24(29-2)26(31-4)25(14-19)30-3/h5-8,13-16,21,27H,9-12H2,1-4H3
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Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544419
PNG
(CHEMBL4647724)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCN(C)CC2)cc1
Show InChI InChI=1S/C27H32N2O4/c1-18-23(19-6-8-21(9-7-19)33-22-10-12-29(2)13-11-22)16-28-17-24(18)20-14-25(30-3)27(32-5)26(15-20)31-4/h6-9,14-17,22H,10-13H2,1-5H3
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n/an/a 6n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 Q207D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544404
PNG
(CHEMBL4644571)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C28H35N3O3/c1-19(2)30-11-13-31(14-12-30)23-9-7-21(8-10-23)24-17-29-18-25(20(24)3)22-15-26(32-4)28(34-6)27(16-22)33-5/h7-10,15-19H,11-14H2,1-6H3
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Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544413
PNG
(CHEMBL4633241)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1
Show InChI InChI=1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3
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n/an/a 7n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin receptor


(Homo sapiens (Human))
BDBM50256479
PNG
(CHEMBL448929 | N-(2,6-difluorophenyl)-3-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C43H45F2N9O4S/c1-4-28-26-35(37(58-2)27-36(28)52-19-15-31(16-20-52)51-21-23-53(24-22-51)59(3,56)57)48-43-46-17-14-34(47-43)41-39(49-38-13-5-6-18-54(38)41)29-9-7-10-30(25-29)42(55)50-40-32(44)11-8-12-33(40)45/h5-14,17-18,25-27,31H,4,15-16,19-24H2,1-3H3,(H,50,55)(H,46,47,48)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged insulin receptor expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256466
PNG
(CHEMBL444031 | N-(2,6-difluorophenyl)-3-(3-(2-(2,3...)
Show SMILES Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C32H22F2N6O3/c33-22-7-4-8-23(34)29(22)39-31(41)20-6-3-5-19(17-20)28-30(40-14-2-1-9-27(40)38-28)24-12-13-35-32(37-24)36-21-10-11-25-26(18-21)43-16-15-42-25/h1-14,17-18H,15-16H2,(H,39,41)(H,35,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256479
PNG
(CHEMBL448929 | N-(2,6-difluorophenyl)-3-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C43H45F2N9O4S/c1-4-28-26-35(37(58-2)27-36(28)52-19-15-31(16-20-52)51-21-23-53(24-22-51)59(3,56)57)48-43-46-17-14-34(47-43)41-39(49-38-13-5-6-18-54(38)41)29-9-7-10-30(25-29)42(55)50-40-32(44)11-8-12-33(40)45/h5-14,17-18,25-27,31H,4,15-16,19-24H2,1-3H3,(H,50,55)(H,46,47,48)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544405
PNG
(CHEMBL4634857)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r|
Show InChI InChI=1S/C27H33N3O3/c1-17-15-30(16-18(2)29-17)22-9-7-20(8-10-22)23-13-28-14-24(19(23)3)21-11-25(31-4)27(33-6)26(12-21)32-5/h7-14,17-18,29H,15-16H2,1-6H3/t17-,18+
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Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ALK2 G328V mutant (unknown origin) by radiometric assay


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544403
PNG
(CHEMBL4643265)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-10-28(2)11-13-29)16-27-17-23(18)20-14-24(30-3)26(32-5)25(15-20)31-4/h6-9,14-17H,10-13H2,1-5H3
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n/an/a 9n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544412
PNG
(CHEMBL4635321)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50256470
PNG
(3-(3-(2-(4-(1,4'-bipiperidin-1'-yl)phenylamino)pyr...)
Show SMILES Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)n1
Show InChI InChI=1S/C40H38F2N8O/c41-32-10-7-11-33(42)37(32)47-39(51)28-9-6-8-27(26-28)36-38(50-23-5-2-12-35(50)46-36)34-17-20-43-40(45-34)44-29-13-15-30(16-14-29)49-24-18-31(19-25-49)48-21-3-1-4-22-48/h2,5-17,20,23,26,31H,1,3-4,18-19,21-22,24-25H2,(H,47,51)(H,43,44,45)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50256412
PNG
(CHEMBL447450 | N-(2,6-difluorophenyl)-3-(3-(2-(3-(...)
Show SMILES Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1
Show InChI InChI=1S/C35H29F2N7O/c36-27-12-7-13-28(37)32(27)42-34(45)25-10-6-9-24(21-25)31-33(44-19-2-1-14-30(44)41-31)29-15-16-38-35(40-29)39-26-11-5-8-23(20-26)22-43-17-3-4-18-43/h1-2,5-16,19-21H,3-4,17-18,22H2,(H,42,45)(H,38,39,40)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544402
PNG
(CHEMBL4646278)
Show SMILES COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
Show InChI InChI=1S/C24H23FN4O2/c1-30-22-11-17(12-23(31-2)24(22)25)21-15-28-14-20(19(21)13-26)16-3-5-18(6-4-16)29-9-7-27-8-10-29/h3-6,11-12,14-15,27H,7-10H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 R206H mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544416
PNG
(CHEMBL4639700)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCCNCC1
Show InChI InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-5-10-27-11-13-29)16-28-17-23(18)20-14-24(30-2)26(32-4)25(15-20)31-3/h6-9,14-17,27H,5,10-13H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ALK2 R258G mutant (unknown origin) by radiometric hotspot assay


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544415
PNG
(CHEMBL4646444)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCN(C)CC1 |t:28|
Show InChI InChI=1S/C27H30N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-10,14-17H,11-13H2,1-5H3
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n/an/a 14n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544396
PNG
(CHEMBL4633121)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1F)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H26FN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544399
PNG
(CHEMBL4638273)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
Show InChI InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50528194
PNG
(CHEMBL4517408)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G356D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544397
PNG
(CHEMBL4642165)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1Cl)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H26ClN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544411
PNG
(CHEMBL4648735)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C25H28N2O5S/c1-17-21(18-5-7-20(8-6-18)27-9-11-33(28,29)12-10-27)15-26-16-22(17)19-13-23(30-2)25(32-4)24(14-19)31-3/h5-8,13-16H,9-12H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544406
PNG
(CHEMBL4647991)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CCF)CC1
Show InChI InChI=1S/C27H32FN3O3/c1-19-23(20-5-7-22(8-6-20)31-13-11-30(10-9-28)12-14-31)17-29-18-24(19)21-15-25(32-2)27(34-4)26(16-21)33-3/h5-8,15-18H,9-14H2,1-4H3
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n/an/a 17n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


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


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
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