vactosertib [Ligand Id: 8107] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3260567 (Ew-7197, Tew 7197, Tew-7197, TEW-7197, Vactosertib)
  • activin A receptor type 1/Activin receptor type-1 in Human [ChEMBL: CHEMBL5903] [GtoPdb: 1785] [UniProtKB: Q04771]
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  • activin A receptor type 1B/Activin receptor type-1B in Human [ChEMBL: CHEMBL5310] [GtoPdb: 1787] [UniProtKB: P36896]
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  • bone morphogenetic protein receptor type IA/Bone morphogenetic protein receptor type-1A in Human [ChEMBL: CHEMBL5275] [GtoPdb: 1786] [UniProtKB: P36894]
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  • bone morphogenetic protein receptor type IB/Bone morphogenetic protein receptor type-1B in Human [ChEMBL: CHEMBL5476] [GtoPdb: 1789] [UniProtKB: O00238]
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  • mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
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  • activin A receptor type IL/Serine/threonine-protein kinase receptor R3 in Human [ChEMBL: CHEMBL5311] [GtoPdb: 1784] [UniProtKB: P37023]
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  • receptor interacting serine/threonine kinase 2/Serine/threonine-protein kinase RIPK2 in Human [ChEMBL: CHEMBL5014] [GtoPdb: 2190] [UniProtKB: O43353]
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  • transforming growth factor beta receptor 1 in Human [GtoPdb: 1788] [UniProtKB: P36897]
  • transforming growth factor beta receptor 1/TGF-beta receptor type-1 in Mouse [ChEMBL: CHEMBL2021750] [GtoPdb: 1788] [UniProtKB: Q64729]
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  • transforming growth factor beta receptor 1/TGF-beta receptor type I in Human [ChEMBL: CHEMBL4439] [GtoPdb: 1788] [UniProtKB: P36897]
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  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
activin A receptor type 1/Activin receptor type-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5903] [GtoPdb: 1785] [UniProtKB: Q04771]
ChEMBL Inhibition of ALK2 (unknown origin) by radioisotopic assay B 5 pIC50 >10000 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (HotSpot assay, Reaction Biology)) EUB0000041b ACVR1 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
activin A receptor type 1B/Activin receptor type-1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5310] [GtoPdb: 1787] [UniProtKB: P36896]
ChEMBL Affinity Biochemical interaction: (Radiometric protein kinase assay (33PanQinase Activity Assay)) EUB0000041b ACVR1B B 7.76 pIC50 17.2 nM IC50 Affinity Biochemical Literature for EUbOPEN Chemogenomic Library
ChEMBL Inhibition of ALK4 (unknown origin) by radioisotopic assay B 7.89 pIC50 13 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (HotSpot assay, Reaction Biology)) EUB0000041b ACVR1B B 7.89 pIC50 13 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
GtoPdb Measured using Reaction Biology Corporation's HotSpot kinase assay - 7.89 pIC50 13 nM IC50 J Med Chem (2014) 57: 4213-38 [PMID:24786585]
ChEMBL Affinity Phenotypic Cellular interaction: (Western Blot (TGFxcexb2-induced phosphorylation of Smad3 in 4T1 cells)) EUB0000041b ACVR1B F 8 pIC50 10 nM IC50 Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomic Library
bone morphogenetic protein receptor type IA/Bone morphogenetic protein receptor type-1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5275] [GtoPdb: 1786] [UniProtKB: P36894]
ChEMBL Inhibition of ALK3 (unknown origin) by radioisotopic assay B 5 pIC50 >10000 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (HotSpot assay, Reaction Biology)) EUB0000041b BMPR1A B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
bone morphogenetic protein receptor type IB/Bone morphogenetic protein receptor type-1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5476] [GtoPdb: 1789] [UniProtKB: O00238]
ChEMBL Inhibition of ALK6 (unknown origin) by radioisotopic assay B 5 pIC50 >10000 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (HotSpot assay, Reaction Biology)) EUB0000041b BMPR1B B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177]
ChEMBL Selectivity interaction (CYP450 inhibition assay (in human liver microsomes)) EUB0000041b CYP1A2 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261]
ChEMBL Selectivity interaction (CYP450 inhibition assay (in human liver microsomes)) EUB0000041b CYP2C19 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712]
ChEMBL Selectivity interaction (CYP450 inhibition assay (in human liver microsomes)) EUB0000041b CYP2C9 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635]
ChEMBL Selectivity interaction (CYP450 inhibition assay (in human liver microsomes)) EUB0000041b CYP2D6 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL Selectivity interaction (CYP450 inhibition assay (in human liver microsomes)) EUB0000041b CYP3A4 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG channel expressed in HEK293 cells after 3 to 5.7 mins by whole-cell patch clamp technique B 4.51 pIC50 31040 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Patch-clamp assay (inhibition of hERG channels in HEK293 cells)) EUB0000041b KCNH2 B 4.51 pIC50 31040 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539]
ChEMBL Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-ATP by scintillation counting method B 5.53 pIC50 2950 nM IC50 Bioorg Med Chem Lett (2019) 29: 2070-2075 [PMID:31303386]
ChEMBL Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counter method B 5.53 pIC50 2950 nM IC50 Eur J Med Chem (2021) 216: 113311-113311 [PMID:33677350]
ChEMBL Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by proprietary radioisotopic protein kinase assay B 5.66 pIC50 2180 nM IC50 Bioorg Med Chem Lett (2015) 25: 5228-5231 [PMID:26483198]
ChEMBL Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-ATP by radiometric assay B 5.66 pIC50 2180 nM IC50 Eur J Med Chem (2019) 180: 15-27 [PMID:31299584]
ChEMBL Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radioisotopic assay B 5.76 pIC50 1720 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
activin A receptor type IL/Serine/threonine-protein kinase receptor R3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5311] [GtoPdb: 1784] [UniProtKB: P37023]
ChEMBL Inhibition of ALK1 (unknown origin) by radioisotopic assay B 5 pIC50 >10000 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (HotSpot assay, Reaction Biology)) EUB0000041b ACVRL1 B 5 pIC50 >10000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
receptor interacting serine/threonine kinase 2/Serine/threonine-protein kinase RIPK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5014] [GtoPdb: 2190] [UniProtKB: O43353]
ChEMBL Inhibition of RIPK2 (unknown origin) by radioisotopic assay B 7.27 pIC50 54 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (33PanQinase activity assay)) EUB0000041b RIPK2 B 7.27 pIC50 54 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
transforming growth factor beta receptor 1 in Human [GtoPdb: 1788] [UniProtKB: P36897]
GtoPdb Measured using Reaction Biology Corporation's HotSpot kinase assay. - 7.96 pIC50 11 nM IC50 J Med Chem (2014) 57: 4213-38 [PMID:24786585]
transforming growth factor beta receptor 1/TGF-beta receptor type-1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2021750] [GtoPdb: 1788] [UniProtKB: Q64729]
ChEMBL Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay B 7.92 pIC50 12.1 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
transforming growth factor beta receptor 1/TGF-beta receptor type I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4439] [GtoPdb: 1788] [UniProtKB: P36897]
ChEMBL Competitive inhibition of ALK5 (unknown origin) by Michaelis-Menten plot analysis in presence of ATP B 7.69 pKi 20.59 nM Ki J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Competitive inhibition of ALK5 (unknown origin) assessed as enzyme/ATP complex by Michaelis-Menten plot analysis in presence of ATP B 8.2 pKi 6.3 nM Ki J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Affinity On-target Cellular interaction: (Cell-based Luciferase assay (ALK5 inhibition in HaCaT cells permanently transfected with p3TO-luciferase reporter construct)) EUB0000041b TGFBR1 B 7.39 pIC50 41 nM IC50 Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library
ChEMBL Inhibition of ALK5 in human HaCaT cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay B 7.78 pIC50 16.5 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Affinity Phenotypic Cellular interaction: (In-cell luciferase assay (ALK5 inhibitory activity, TGF-xcexb21-induced luciferase reporter activity in HaCaT (3TP-luc) stable cells)) EUB0000041b TGFBR1 F 7.78 pIC50 16.5 nM IC50 Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomic Library
ChEMBL Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-ATP by scintillation counting method B 7.85 pIC50 14 nM IC50 Bioorg Med Chem Lett (2019) 29: 2070-2075 [PMID:31303386]
ChEMBL Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counter method B 7.85 pIC50 14 nM IC50 Eur J Med Chem (2021) 216: 113311-113311 [PMID:33677350]
ChEMBL Inhibition of TGFBR1 (unknown origin) B 7.89 pIC50 13 nM IC50 Eur J Med Chem (2019) 163: 413-427 [PMID:30530193]
ChEMBL Affinity Biochemical interaction: (Radiometric protein kinase assay (33PanQinase Activity Assay)) EUB0000041b TGFBR1 B 7.89 pIC50 12.9 nM IC50 Affinity Biochemical Literature for EUbOPEN Chemogenomic Library
ChEMBL Affinity Phenotypic Cellular interaction: (In-cell luciferase assay (ALK5 inhibitory activity, TGF-xcexb21-induced luciferase reporter activity in 4T1 (3TP-luc) stable cells)) EUB0000041b TGFBR1 F 7.92 pIC50 12.1 nM IC50 Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomic Library
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (HotSpot assay, Reaction Biology)) EUB0000041b TGFBR1 B 7.96 pIC50 11 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library
GtoPdb Measured using Reaction Biology Corporation's HotSpot kinase assay. - 7.96 pIC50 11 nM IC50 J Med Chem (2014) 57: 4213-38 [PMID:24786585]
ChEMBL Affinity Phenotypic Cellular interaction: (Western Blot (TGFxcexb2-induced phosphorylation of Smad3 in 4T1 cells)) EUB0000041b TGFBR1 F 8 pIC50 10 nM IC50 Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomic Library
ChEMBL Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-ATP by radiometric assay B 8 pIC50 10 nM IC50 Eur J Med Chem (2019) 180: 15-27 [PMID:31299584]
ChEMBL Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 insect cells using casein as substrate by proprietary radioisotopic protein kinase assay B 8.01 pIC50 9.67 nM IC50 Bioorg Med Chem Lett (2015) 25: 5228-5231 [PMID:26483198]
ChEMBL Inhibition of ALK5 in human Hs-578T cells assessed as effect of TGF-beta-induced Smad3/4 phosphorylation B 8.03 pIC50 9.4 nM IC50 Bioorg Med Chem Lett (2023) 85: 129205-129205 [PMID:36858078]
ChEMBL Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay B 8.15 pIC50 7 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
Transforming growth factor beta-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795178] [UniProtKB: P01137]
ChEMBL Inhibition of TGF-beta receptor (unknown origin) B 7.89 pIC50 12.9 nM IC50 Eur J Med Chem (2021) 218: 113356-113356 [PMID:33773287]
kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
ChEMBL Inhibition of VEGFR2 (unknown origin) by radioisotopic assay B 7.01 pIC50 97 nM IC50 J Med Chem (2014) 57: 4213-4238 [PMID:24786585]
ChEMBL Selectivity interaction (Radioisotopic protein kinase assay (33PanQinase activity assay)) EUB0000041b KDR B 7.01 pIC50 97 nM IC50 Selectivity Literature for EUbOPEN Chemogenomic Library

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]