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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50003048   
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
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM111123
PNG
(US10017516, Compound 2 | US9682983, 2)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C27H26N6/c1-18-13-28-14-19(2)33(18)22-9-7-20(8-10-22)21-15-30-27-25(16-31-32(27)17-21)23-11-12-29-26-6-4-3-5-24(23)26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
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n/an/a 7n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM111123
PNG
(US10017516, Compound 2 | US9682983, 2)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C27H26N6/c1-18-13-28-14-19(2)33(18)22-9-7-20(8-10-22)21-15-30-27-25(16-31-32(27)17-21)23-11-12-29-26-6-4-3-5-24(23)26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+
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n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a 9n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466195
PNG
(CHEMBL4278763)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C26H23N5O2S/c27-26(12-3-13-26)19-8-6-17(7-9-19)18-14-29-25-23(15-30-31(25)16-18)21-10-11-24(34(28,32)33)22-5-2-1-4-20(21)22/h1-2,4-11,14-16H,3,12-13,27H2,(H2,28,32,33)
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n/an/a 16n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
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 17n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466190
PNG
(CHEMBL4288921)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H28N6O2S/c1-18-13-30-14-19(2)34(18)22-9-7-20(8-10-22)21-15-31-28-26(16-32-33(28)17-21)24-11-12-27(37(29,35)36)25-6-4-3-5-23(24)25/h3-12,15-19,30H,13-14H2,1-2H3,(H2,29,35,36)/t18-,19+
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National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(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 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466182
PNG
(CHEMBL4293917)
Show SMILES CC(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C24H21N5O2S/c1-15(25)16-6-8-17(9-7-16)18-12-27-24-22(13-28-29(24)14-18)20-10-11-23(32(26,30)31)21-5-3-2-4-19(20)21/h2-15H,25H2,1H3,(H2,26,30,31)
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n/an/a 25n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466198
PNG
(CHEMBL4281166)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(CN3CCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C27H25N5O2S/c28-35(33,34)26-12-11-23(22-5-1-2-6-24(22)26)25-16-30-32-18-21(15-29-27(25)32)20-9-7-19(8-10-20)17-31-13-3-4-14-31/h1-2,5-12,15-16,18H,3-4,13-14,17H2,(H2,28,33,34)
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n/an/a 27n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466186
PNG
(CHEMBL4283315)
Show SMILES CC(C)(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C25H23N5O2S/c1-25(2,26)18-9-7-16(8-10-18)17-13-28-24-22(14-29-30(24)15-17)20-11-12-23(33(27,31)32)21-6-4-3-5-19(20)21/h3-15H,26H2,1-2H3,(H2,27,31,32)
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n/an/a 29n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466200
PNG
(CHEMBL4278219)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C31H33N5O3S/c1-31(2,21-35-16-6-3-7-17-35)39-24-12-10-22(11-13-24)23-18-33-30-28(19-34-36(30)20-23)26-14-15-29(40(32,37)38)27-9-5-4-8-25(26)27/h4-5,8-15,18-20H,3,6-7,16-17,21H2,1-2H3,(H2,32,37,38)
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n/an/a 47n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466187
PNG
(CHEMBL4288905)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C28H27N5O3S/c29-37(34,35)27-12-11-24(23-5-1-2-6-25(23)27)26-18-31-33-19-21(17-30-28(26)33)20-7-9-22(10-8-20)36-16-15-32-13-3-4-14-32/h1-2,5-12,17-19H,3-4,13-16H2,(H2,29,34,35)
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n/an/a 48n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a 51n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466201
PNG
(CHEMBL4283587)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2c(cccc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H28N6O2S/c1-18-13-30-14-19(2)34(18)22-11-9-20(10-12-22)21-15-31-28-26(16-32-33(28)17-21)24-5-3-7-25-23(24)6-4-8-27(25)37(29,35)36/h3-12,15-19,30H,13-14H2,1-2H3,(H2,29,35,36)/t18-,19+
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n/an/a 54n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466194
PNG
(CHEMBL4285523)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C29H29N5O3S/c30-38(35,36)28-13-12-25(24-6-2-3-7-26(24)28)27-19-32-34-20-22(18-31-29(27)34)21-8-10-23(11-9-21)37-17-16-33-14-4-1-5-15-33/h2-3,6-13,18-20H,1,4-5,14-17H2,(H2,30,35,36)
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n/an/a 63n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466193
PNG
(CHEMBL4277239)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc12
Show InChI InChI=1S/C27H25N5O2S/c28-35(33,34)26-10-9-23(22-3-1-2-4-24(22)26)25-16-31-32-17-21(15-30-27(25)32)19-7-5-18(6-8-19)20-11-13-29-14-12-20/h1-10,15-17,20,29H,11-14H2,(H2,28,33,34)
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n/an/a 93n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466196
PNG
(CHEMBL4281706)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc(c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C24H26N6O2S/c1-16-11-26-12-17(2)30(16)21-8-6-18(7-9-21)20-13-27-24-23(14-28-29(24)15-20)19-4-3-5-22(10-19)33(25,31)32/h3-10,13-17,26H,11-12H2,1-2H3,(H2,25,31,32)/t16-,17+
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n/an/a 109n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466181
PNG
(CHEMBL4285138)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(C)c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C25H28N6O2S/c1-16-10-20(6-9-24(16)34(26,32)33)23-14-29-30-15-21(13-28-25(23)30)19-4-7-22(8-5-19)31-17(2)11-27-12-18(31)3/h4-10,13-15,17-18,27H,11-12H2,1-3H3,(H2,26,32,33)/t17-,18+
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n/an/a 246n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466184
PNG
(CHEMBL4292331)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(N)c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C24H27N7O2S/c1-15-10-27-11-16(2)31(15)20-6-3-17(4-7-20)19-12-28-24-21(13-29-30(24)14-19)18-5-8-23(22(25)9-18)34(26,32)33/h3-9,12-16,27H,10-11,25H2,1-2H3,(H2,26,32,33)/t15-,16+
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n/an/a 291n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466191
PNG
(CHEMBL4278242)
Show SMILES CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N6O2S/c1-19-14-31-15-20(2)35(19)23-10-8-21(9-11-23)22-16-32-29-27(17-33-34(29)18-22)25-12-13-28(38(36,37)30-3)26-7-5-4-6-24(25)26/h4-13,16-20,30-31H,14-15H2,1-3H3/t19-,20+
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n/an/a 326n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466192
PNG
(CHEMBL4280585)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc12
Show InChI InChI=1S/C25H23N7O2S/c26-35(33,34)23-7-6-20(19-3-1-2-4-21(19)23)22-15-30-32-16-18(14-29-25(22)32)17-5-8-24(28-13-17)31-11-9-27-10-12-31/h1-8,13-16,27H,9-12H2,(H2,26,33,34)
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n/an/a 422n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466201
PNG
(CHEMBL4283587)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2c(cccc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H28N6O2S/c1-18-13-30-14-19(2)34(18)22-11-9-20(10-12-22)21-15-31-28-26(16-32-33(28)17-21)24-5-3-7-25-23(24)6-4-8-27(25)37(29,35)36/h3-12,15-19,30H,13-14H2,1-2H3,(H2,29,35,36)/t18-,19+
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n/an/a 444n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466189
PNG
(CHEMBL4277180)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C24H26N6O2S/c1-16-11-26-12-17(2)30(16)21-7-3-18(4-8-21)20-13-27-24-23(14-28-29(24)15-20)19-5-9-22(10-6-19)33(25,31)32/h3-10,13-17,26H,11-12H2,1-2H3,(H2,25,31,32)/t16-,17+
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n/an/a 526n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a 698n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human TGFbetaR2 expressed in Baculovirus expression system by LanthaScreen assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466180
PNG
(CHEMBL4290804)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)nc2)c2ccccc12
Show InChI InChI=1S/C28H28N6O3S/c29-38(35,36)26-10-9-23(22-6-2-3-7-24(22)26)25-18-32-34-19-21(17-31-28(25)34)20-8-11-27(30-16-20)37-15-14-33-12-4-1-5-13-33/h2-3,6-11,16-19H,1,4-5,12-15H2,(H2,29,35,36)
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n/an/a 738n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466197
PNG
(CHEMBL4291950)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(NS(C)(=O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N6O2S/c1-19-14-30-15-20(2)35(19)23-10-8-21(9-11-23)22-16-31-29-27(17-32-34(29)18-22)25-12-13-28(33-38(3,36)37)26-7-5-4-6-24(25)26/h4-13,16-20,30,33H,14-15H2,1-3H3/t19-,20+
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n/an/a 796n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466185
PNG
(CHEMBL4279135)
Show SMILES CN(C)CCOc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C25H24N6O3S/c1-30(2)11-12-34-24-10-7-17(13-27-24)18-14-28-25-22(15-29-31(25)16-18)20-8-9-23(35(26,32)33)21-6-4-3-5-19(20)21/h3-10,13-16H,11-12H2,1-2H3,(H2,26,32,33)
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n/an/a 1.03E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466188
PNG
(CHEMBL4288494)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H27N5O2S/c1-17-12-26-13-18(2)30(17)22-8-4-19(5-9-22)21-14-27-25-24(15-28-29(25)16-21)20-6-10-23(11-7-20)33(3,31)32/h4-11,14-18,26H,12-13H2,1-3H3/t17-,18+
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n/an/a 1.97E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-2A


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a 2.37E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged human ACVR2A expressed in Baculovirus expression system by LanthaScreen assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466196
PNG
(CHEMBL4281706)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc(c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C24H26N6O2S/c1-16-11-26-12-17(2)30(16)21-8-6-18(7-9-21)20-13-27-24-23(14-28-29(24)15-20)19-4-3-5-22(10-19)33(25,31)32/h3-10,13-17,26H,11-12H2,1-2H3,(H2,25,31,32)/t16-,17+
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n/an/a 2.53E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-2B


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a 3.13E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ACVR2B catalytic domain (185 to 488 residues) expressed in Baculovirus expression system by LanthaScreen assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466190
PNG
(CHEMBL4288921)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H28N6O2S/c1-18-13-30-14-19(2)34(18)22-9-7-20(8-10-22)21-15-31-28-26(16-32-33(28)17-21)24-11-12-27(37(29,35)36)25-6-4-3-5-23(24)25/h3-12,15-19,30H,13-14H2,1-2H3,(H2,29,35,36)/t18-,19+
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n/an/a 3.47E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466199
PNG
(CHEMBL4291891)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C30H32N6O2S/c1-20-15-31-16-21(2)36(20)24-11-9-22(10-12-24)23-17-32-30-28(18-33-35(30)19-23)26-13-14-29(39(37,38)34(3)4)27-8-6-5-7-25(26)27/h5-14,17-21,31H,15-16H2,1-4H3/t20-,21+
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n/an/a 5.99E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a 6.44E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466195
PNG
(CHEMBL4278763)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C26H23N5O2S/c27-26(12-3-13-26)19-8-6-17(7-9-19)18-14-29-25-23(15-30-31(25)16-18)21-10-11-24(34(28,32)33)22-5-2-1-4-20(21)22/h1-2,4-11,14-16H,3,12-13,27H2,(H2,28,32,33)
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n/an/a 8.20E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466197
PNG
(CHEMBL4291950)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(NS(C)(=O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N6O2S/c1-19-14-30-15-20(2)35(19)23-10-8-21(9-11-23)22-16-31-29-27(17-32-34(29)18-22)25-12-13-28(33-38(3,36)37)26-7-5-4-6-24(25)26/h4-13,16-20,30,33H,14-15H2,1-3H3/t19-,20+
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n/an/a 8.90E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466191
PNG
(CHEMBL4278242)
Show SMILES CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N6O2S/c1-19-14-31-15-20(2)35(19)23-10-8-21(9-11-23)22-16-32-29-27(17-33-34(29)18-22)25-12-13-28(38(36,37)30-3)26-7-5-4-6-24(25)26/h4-13,16-20,30-31H,14-15H2,1-3H3/t19-,20+
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-2


(Homo sapiens (Human))
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BMPR2 (174 to end residues) by LanthaScreen assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466194
PNG
(CHEMBL4285523)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C29H29N5O3S/c30-38(35,36)28-13-12-25(24-6-2-3-7-26(24)28)27-19-32-34-20-22(18-31-29(27)34)21-8-10-23(11-9-21)37-17-16-33-14-4-1-5-15-33/h2-3,6-13,18-20H,1,4-5,14-17H2,(H2,30,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466193
PNG
(CHEMBL4277239)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc12
Show InChI InChI=1S/C27H25N5O2S/c28-35(33,34)26-10-9-23(22-3-1-2-4-24(22)26)25-16-31-32-17-21(15-30-27(25)32)19-7-5-18(6-8-19)20-11-13-29-14-12-20/h1-10,15-17,20,29H,11-14H2,(H2,28,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466185
PNG
(CHEMBL4279135)
Show SMILES CN(C)CCOc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C25H24N6O3S/c1-30(2)11-12-34-24-10-7-17(13-27-24)18-14-28-25-22(15-29-31(25)16-18)20-8-9-23(35(26,32)33)21-6-4-3-5-19(20)21/h3-10,13-16H,11-12H2,1-2H3,(H2,26,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466192
PNG
(CHEMBL4280585)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc12
Show InChI InChI=1S/C25H23N7O2S/c26-35(33,34)23-7-6-20(19-3-1-2-4-21(19)23)22-15-30-32-16-18(14-29-25(22)32)17-5-8-24(28-13-17)31-11-9-27-10-12-31/h1-8,13-16,27H,9-12H2,(H2,26,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466184
PNG
(CHEMBL4292331)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(N)c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C24H27N7O2S/c1-15-10-27-11-16(2)31(15)20-6-3-17(4-7-20)19-12-28-24-21(13-29-30(24)14-19)18-5-8-23(22(25)9-18)34(26,32)33/h3-9,12-16,27H,10-11,25H2,1-2H3,(H2,26,32,33)/t15-,16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466187
PNG
(CHEMBL4288905)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C28H27N5O3S/c29-37(34,35)27-12-11-24(23-5-1-2-6-25(23)27)26-18-31-33-19-21(17-30-28(26)33)20-7-9-22(10-8-20)36-16-15-32-13-3-4-14-32/h1-2,5-12,17-19H,3-4,13-16H2,(H2,29,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466188
PNG
(CHEMBL4288494)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H27N5O2S/c1-17-12-26-13-18(2)30(17)22-8-4-19(5-9-22)21-14-27-25-24(15-28-29(25)16-21)20-6-10-23(11-7-20)33(3,31)32/h4-11,14-18,26H,12-13H2,1-3H3/t17-,18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466200
PNG
(CHEMBL4278219)
Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C31H33N5O3S/c1-31(2,21-35-16-6-3-7-17-35)39-24-12-10-22(11-13-24)23-18-33-30-28(19-34-36(30)20-23)26-14-15-29(40(32,37)38)27-9-5-4-8-25(26)27/h4-5,8-15,18-20H,3,6-7,16-17,21H2,1-2H3,(H2,32,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466180
PNG
(CHEMBL4290804)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)nc2)c2ccccc12
Show InChI InChI=1S/C28H28N6O3S/c29-38(35,36)26-10-9-23(22-6-2-3-7-24(22)26)25-18-32-34-19-21(17-31-28(25)34)20-8-11-27(30-16-20)37-15-14-33-12-4-1-5-13-33/h2-3,6-11,16-19H,1,4-5,12-15H2,(H2,29,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466186
PNG
(CHEMBL4283315)
Show SMILES CC(C)(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C25H23N5O2S/c1-25(2,26)18-9-7-16(8-10-18)17-13-28-24-22(14-29-30(24)15-17)20-11-12-23(33(27,31)32)21-6-4-3-5-19(20)21/h3-15H,26H2,1-2H3,(H2,27,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466198
PNG
(CHEMBL4281166)
Show SMILES NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(CN3CCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C27H25N5O2S/c28-35(33,34)26-12-11-23(22-5-1-2-6-24(22)26)25-16-30-32-18-21(15-29-27(25)32)20-9-7-19(8-10-20)17-31-13-3-4-14-31/h1-2,5-12,15-16,18H,3-4,13-14,17H2,(H2,28,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50466182
PNG
(CHEMBL4293917)
Show SMILES CC(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C24H21N5O2S/c1-15(25)16-6-8-17(9-7-16)18-12-27-24-22(13-28-29(24)14-18)20-10-11-23(32(26,30)31)21-5-3-2-4-19(20)21/h2-15H,25H2,1H3,(H2,26,30,31)
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n/an/a 1.28E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
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