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Compile Data Set for Download or QSAR

Found 285 hits of ic50 data for polymerid = 50003648   
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
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 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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
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-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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
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 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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
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-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 |r|
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 US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
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 |r|
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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Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
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 |r|
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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Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
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 |r|
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))		BDBM280340
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
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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))		BDBM280340
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


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

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280340
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/m0/s1
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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))		BDBM280363
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{1H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1
Show InChI InChI=1S/C28H26FN5O/c1-18(2)22-16-32-26(27-23(29)5-4-12-30-27)15-25(22)33-24-10-13-31-28-21(24)11-14-34(28)17-19-6-8-20(35-3)9-7-19/h4-16,18H,17H2,1-3H3,(H,31,32,33)
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Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280363
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{1H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1
Show InChI InChI=1S/C28H26FN5O/c1-18(2)22-16-32-26(27-23(29)5-4-12-30-27)15-25(22)33-24-10-13-31-28-21(24)11-14-34(28)17-19-6-8-20(35-3)9-7-19/h4-16,18H,17H2,1-3H3,(H,31,32,33)
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n/an/a 10.5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


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

US Patent US10501436 (2019)


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


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

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280363
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{1H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1
Show InChI InChI=1S/C28H26FN5O/c1-18(2)22-16-32-26(27-23(29)5-4-12-30-27)15-25(22)33-24-10-13-31-28-21(24)11-14-34(28)17-19-6-8-20(35-3)9-7-19/h4-16,18H,17H2,1-3H3,(H,31,32,33)
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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))		BDBM514529
PNG
(N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCN)-c1cc(Cl)ccc1F
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


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

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280352
PNG
(N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C27H31ClFN5O3/c1-16(2)19-15-33-23(18-12-17(28)6-7-21(18)29)13-24(19)34-22-8-9-30-14-20(22)25(35)31-10-11-32-26(36)37-27(3,4)5/h6-9,12-16H,10-11H2,1-5H3,(H,31,35)(H,32,36)(H,30,33,34)
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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))		BDBM280352
PNG
(N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C27H31ClFN5O3/c1-16(2)19-15-33-23(18-12-17(28)6-7-21(18)29)13-24(19)34-22-8-9-30-14-20(22)25(35)31-10-11-32-26(36)37-27(3,4)5/h6-9,12-16H,10-11H2,1-5H3,(H,31,35)(H,32,36)(H,30,33,34)
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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))		BDBM280360
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H20ClFN4O2/c1-13(2)16-12-27-20(15-9-14(23)3-4-18(15)24)10-21(16)28-19-5-6-25-11-17(19)22(30)26-7-8-29/h3-6,9-12,29H,1,7-8H2,2H3,(H,26,30)(H,25,27,28)
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Medivation Technologies LLC

US Patent


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

US Patent US10501436 (2019)


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


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

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


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

US Patent


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

US Patent US10030004 (2018)


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


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

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


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

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


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

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280348
PNG
(N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-p...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H21ClFN5O2/c1-12(2)15-10-27-19(14-7-13(23)3-4-17(14)24)8-20(15)29-18-5-6-26-9-16(18)22(31)28-11-21(25)30/h3-10,12H,11H2,1-2H3,(H2,25,30)(H,28,31)(H,26,27,29)
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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))		BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay

J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
Activin receptor type-1B


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

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM423157
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-yl...)
Show SMILES CC=Cc1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |w:1.0|
Show InChI InChI=1S/C23H22ClFN4O2/c1-3-4-15-11-27-22(17-9-16(24)5-6-19(17)25)10-21(15)29-20-7-8-26-12-18(20)23(31)28-14(2)13-30/h3-12,14,30H,13H2,1-2H3,(H,28,31)(H,26,27,29)/b4-3+/t14-/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))		BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/m0/s1
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n/an/a 13n/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-1B


(Homo sapiens (Human))		BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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PubMed
n/an/a 23n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK4 (unknown origin) by radioisotopic assay

J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
Activin receptor type-1B


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



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280346
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...)
Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/m0/s1
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n/an/a 23.5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


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

US Patent US10030004 (2018)


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


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



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))		BDBM280364
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{7H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)
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n/an/a 23.7n/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-1B


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



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


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



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
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