Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase SMURF1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239101 (US10195181, Example 2.2 | US9403810, 2.2) Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal Prolabel-tagged human Smurf-1 HECT domain expressed in HEK293 cells assessed as accumulation of Smurf-1 protein using chemil...				ACS Med Chem Lett 7: 878-880 (2016) Article DOI: 10.1021/acsmedchemlett.6b00326 BindingDB Entry DOI: 10.7270/Q2CF9S2B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239101 (US10195181, Example 2.2 | US9403810, 2.2) Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239101 (US10195181, Example 2.2 | US9403810, 2.2) Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239117 (US10195181, Example 22c | US9403810, 22) Show SMILES CC1CCC(OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239132 (US9403810, 22c) Show SMILES C[C@@H]1CC[C@H](OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM50193010 (CHEMBL3949800) Show SMILES CC1CCC(OC1)c1onc(C(O)=Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal Prolabel-tagged human Smurf-1 HECT domain expressed in HEK293 cells assessed as accumulation of Smurf-1 protein using chemil...				ACS Med Chem Lett 7: 878-880 (2016) Article DOI: 10.1021/acsmedchemlett.6b00326 BindingDB Entry DOI: 10.7270/Q2CF9S2B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239094 (US10195181, Example 1.3 | US9403810, 1.3) Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5| Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239094 (US10195181, Example 1.3 | US9403810, 1.3) Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5| Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239094 (US10195181, Example 1.3 | US9403810, 1.3) Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5| Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal Prolabel-tagged human Smurf-1 HECT domain expressed in HEK293 cells assessed as accumulation of Smurf-1 protein using chemil...				ACS Med Chem Lett 7: 878-880 (2016) Article DOI: 10.1021/acsmedchemlett.6b00326 BindingDB Entry DOI: 10.7270/Q2CF9S2B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239092 (US10195181, Example 1.1 | US9403810, 1.1) Show SMILES CCC1CC(C)CC=C1c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:7| Show InChI InChI=1S/C25H36N4O3/c1-6-18-14-15(2)12-13-20(18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)19-10-8-7-9-11-19/h13,15,18-19H,6-12,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239092 (US10195181, Example 1.1 | US9403810, 1.1) Show SMILES CCC1CC(C)CC=C1c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:7| Show InChI InChI=1S/C25H36N4O3/c1-6-18-14-15(2)12-13-20(18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)19-10-8-7-9-11-19/h13,15,18-19H,6-12,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239099 (US10195181, Example 2 | US9403810, 2) Show SMILES Cc1c(noc1C1=CCC2(CCCC2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C26H36N4O3/c1-17-21(28-33-23(17)19-11-15-26(16-12-19)13-7-8-14-26)24(31)27-22-18(2)29(3)30(25(22)32)20-9-5-4-6-10-20/h11,20H,4-10,12-16H2,1-3H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239099 (US10195181, Example 2 | US9403810, 2) Show SMILES Cc1c(noc1C1=CCC2(CCCC2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C26H36N4O3/c1-17-21(28-33-23(17)19-11-15-26(16-12-19)13-7-8-14-26)24(31)27-22-18(2)29(3)30(25(22)32)20-9-5-4-6-10-20/h11,20H,4-10,12-16H2,1-3H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239091 (US10195181, Example 1 | US9403810, 1) Show SMILES CC(C)C1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:6| Show InChI InChI=1S/C25H36N4O3/c1-15(2)18-11-13-19(14-12-18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)20-9-7-6-8-10-20/h13,15,18,20H,6-12,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239091 (US10195181, Example 1 | US9403810, 1) Show SMILES CC(C)C1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:6| Show InChI InChI=1S/C25H36N4O3/c1-15(2)18-11-13-19(14-12-18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)20-9-7-6-8-10-20/h13,15,18,20H,6-12,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM50193011 (CHEMBL3945602) Show SMILES CC(C)C1CCC(=CC1)c1onc(C(O)=Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:6| Show InChI InChI=1S/C25H36N4O3/c1-15(2)18-11-13-19(14-12-18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)20-9-7-6-8-10-20/h13,15,18,20H,6-12,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal Prolabel-tagged human Smurf-1 HECT domain expressed in HEK293 cells assessed as accumulation of Smurf-1 protein using chemil...				ACS Med Chem Lett 7: 878-880 (2016) Article DOI: 10.1021/acsmedchemlett.6b00326 BindingDB Entry DOI: 10.7270/Q2CF9S2B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239095 (US10195181, Example 1.4 | US9403810, 1.4) Show SMILES Cc1c(noc1C1=CCC(CC1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C26H38N4O3/c1-16-21(28-33-23(16)18-12-14-19(15-13-18)26(3,4)5)24(31)27-22-17(2)29(6)30(25(22)32)20-10-8-7-9-11-20/h12,19-20H,7-11,13-15H2,1-6H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239095 (US10195181, Example 1.4 | US9403810, 1.4) Show SMILES Cc1c(noc1C1=CCC(CC1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C26H38N4O3/c1-16-21(28-33-23(16)18-12-14-19(15-13-18)26(3,4)5)24(31)27-22-17(2)29(6)30(25(22)32)20-10-8-7-9-11-20/h12,19-20H,7-11,13-15H2,1-6H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239105 (US10195181, Example 6 | US9403810, 6) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCC(C)(C)CC1 Show InChI InChI=1S/C24H36N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h17-18H,6-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239105 (US10195181, Example 6 | US9403810, 6) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCC(C)(C)CC1 Show InChI InChI=1S/C24H36N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h17-18H,6-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal Prolabel-tagged human Smurf-1 HECT domain expressed in HEK293 cells assessed as accumulation of Smurf-1 protein using chemil...				ACS Med Chem Lett 7: 878-880 (2016) Article DOI: 10.1021/acsmedchemlett.6b00326 BindingDB Entry DOI: 10.7270/Q2CF9S2B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239105 (US10195181, Example 6 | US9403810, 6) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCC(C)(C)CC1 Show InChI InChI=1S/C24H36N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h17-18H,6-14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239102 (US10195181, Example 3 | US9403810, 3) Show SMILES Cc1c(noc1C1=CCC(C)(C)C1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C23H32N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h11,17H,6-10,12-13H2,1-5H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239096 (US10195181, Example 1.5 | US9403810, 1.5) Show SMILES CC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:4| Show InChI InChI=1S/C23H32N4O3/c1-14-10-12-17(13-11-14)21-15(2)19(25-30-21)22(28)24-20-16(3)26(4)27(23(20)29)18-8-6-5-7-9-18/h12,14,18H,5-11,13H2,1-4H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239096 (US10195181, Example 1.5 | US9403810, 1.5) Show SMILES CC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:4| Show InChI InChI=1S/C23H32N4O3/c1-14-10-12-17(13-11-14)21-15(2)19(25-30-21)22(28)24-20-16(3)26(4)27(23(20)29)18-8-6-5-7-9-18/h12,14,18H,5-11,13H2,1-4H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239102 (US10195181, Example 3 | US9403810, 3) Show SMILES Cc1c(noc1C1=CCC(C)(C)C1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C23H32N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h11,17H,6-10,12-13H2,1-5H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239097 (US10195181, Example 1.6 | US9403810, 1.6) Show SMILES Cc1c(noc1C1=CCCCCC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C23H32N4O3/c1-15-19(25-30-21(15)17-11-7-4-5-8-12-17)22(28)24-20-16(2)26(3)27(23(20)29)18-13-9-6-10-14-18/h11,18H,4-10,12-14H2,1-3H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239097 (US10195181, Example 1.6 | US9403810, 1.6) Show SMILES Cc1c(noc1C1=CCCCCC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C23H32N4O3/c1-15-19(25-30-21(15)17-11-7-4-5-8-12-17)22(28)24-20-16(2)26(3)27(23(20)29)18-13-9-6-10-14-18/h11,18H,4-10,12-14H2,1-3H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239093 (US10195181, Example 1.2 | US9403810, 1.2) Show SMILES Cc1c(noc1C1=CCCCC1(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)18-13-9-10-14-24(18,3)4)22(29)25-20-16(2)27(5)28(23(20)30)17-11-7-6-8-12-17/h13,17H,6-12,14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239093 (US10195181, Example 1.2 | US9403810, 1.2) Show SMILES Cc1c(noc1C1=CCCCC1(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)18-13-9-10-14-24(18,3)4)22(29)25-20-16(2)27(5)28(23(20)30)17-11-7-6-8-12-17/h13,17H,6-12,14H2,1-5H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239107 (US10195181, Example 7 | US9403810, 7) Show SMILES Cc1c(CCC(C)(C)C)onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C22H34N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h16H,7-13H2,1-6H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239107 (US10195181, Example 7 | US9403810, 7) Show SMILES Cc1c(CCC(C)(C)C)onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C22H34N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h16H,7-13H2,1-6H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239106 (US10195181, Example 6.1 | US9403810, 6.1) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCC(C)(C)C1 Show InChI InChI=1S/C23H34N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h16-17H,6-13H2,1-5H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239106 (US10195181, Example 6.1 | US9403810, 6.1) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCC(C)(C)C1 Show InChI InChI=1S/C23H34N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h16-17H,6-13H2,1-5H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239098 (US10195181, Example 1.7 | US9403810, 1.7) Show SMILES Cc1c(noc1C1=CCC(CC1)C(F)(F)F)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C23H29F3N4O3/c1-13-18(28-33-20(13)15-9-11-16(12-10-15)23(24,25)26)21(31)27-19-14(2)29(3)30(22(19)32)17-7-5-4-6-8-17/h9,16-17H,4-8,10-12H2,1-3H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239098 (US10195181, Example 1.7 | US9403810, 1.7) Show SMILES Cc1c(noc1C1=CCC(CC1)C(F)(F)F)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C23H29F3N4O3/c1-13-18(28-33-20(13)15-9-11-16(12-10-15)23(24,25)26)21(31)27-19-14(2)29(3)30(22(19)32)17-7-5-4-6-8-17/h9,16-17H,4-8,10-12H2,1-3H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239126 (US9403810, 16) Show SMILES Cc1c(noc1C1CCCC(O1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C25H38N4O4/c1-15-20(27-33-22(15)18-13-10-14-19(32-18)25(3,4)5)23(30)26-21-16(2)28(6)29(24(21)31)17-11-8-7-9-12-17/h17-19H,7-14H2,1-6H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM331990 (5-((2S,6R)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)...) Show SMILES Cc1c(noc1[C@H]1CCC[C@H](O1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |r| Show InChI InChI=1S/C25H38N4O4/c1-15-20(27-33-22(15)18-13-10-14-19(32-18)25(3,4)5)23(30)26-21-16(2)28(6)29(24(21)31)17-11-8-7-9-12-17/h17-19H,7-14H2,1-6H3,(H,26,30)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239108 (US10195181, Example 8 | US9403810, 8) Show SMILES Cc1c(\C=C/C(C)(C)C)onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C22H32N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h12-13,16H,7-11H2,1-6H3,(H,23,27)/b13-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239108 (US10195181, Example 8 | US9403810, 8) Show SMILES Cc1c(\C=C/C(C)(C)C)onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C22H32N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h12-13,16H,7-11H2,1-6H3,(H,23,27)/b13-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239110 (US10195181, Example 10 | US9403810, 10) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCCCC1 Show InChI InChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239110 (US10195181, Example 10 | US9403810, 10) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1CCCCC1 Show InChI InChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM238981 (US9403833, 16) Show SMILES Cc1c(NC(=O)c2nnn-3c2CCCc2cc(OC(F)(F)F)ccc-32)c(=O)n(C2CCCCC2)n1C Show InChI InChI=1S/C24H27F3N6O3/c1-14-20(23(35)33(31(14)2)16-8-4-3-5-9-16)28-22(34)21-19-10-6-7-15-13-17(36-24(25,26)27)11-12-18(15)32(19)30-29-21/h11-13,16H,3-10H2,1-2H3,(H,28,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403833 (2016) BindingDB Entry DOI: 10.7270/Q2PN94JM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239109 (US10195181, Example 9 | US9403810, 9) Show SMILES Cc1c(\C=C\C(C)(C)C)onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C22H32N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h12-13,16H,7-11H2,1-6H3,(H,23,27)/b13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239109 (US10195181, Example 9 | US9403810, 9) Show SMILES Cc1c(\C=C\C(C)(C)C)onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O Show InChI InChI=1S/C22H32N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h12-13,16H,7-11H2,1-6H3,(H,23,27)/b13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239100 (US10195181, Example 2.1 | US9403810, 2.1) Show SMILES Cc1c(noc1C1=CCC2(CCCO2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C25H34N4O4/c1-16-20(27-33-22(16)18-10-13-25(14-11-18)12-7-15-32-25)23(30)26-21-17(2)28(3)29(24(21)31)19-8-5-4-6-9-19/h10,19H,4-9,11-15H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM239100 (US10195181, Example 2.1 | US9403810, 2.1) Show SMILES Cc1c(noc1C1=CCC2(CCCO2)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7| Show InChI InChI=1S/C25H34N4O4/c1-16-20(27-33-22(16)18-10-13-25(14-11-18)12-7-15-32-25)23(30)26-21-17(2)28(3)29(24(21)31)19-8-5-4-6-9-19/h10,19H,4-9,11-15H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239120 (US9403810, 25d) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)[C@H]1OC[C@@H](O1)C(C)(C)C |r| Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)/t16-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM332005 (US10195181, Example 25a | US10195181, Example 25b ...) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757] (Homo sapiens (Human))	BDBM239137 (US9403810, 25b) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)[C@@H]1OC[C@@H](O1)C(C)(C)C |r| Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)/t16-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...				US Patent US9403810 (2016) BindingDB Entry DOI: 10.7270/Q22V2F1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human))	BDBM332005 (US10195181, Example 25a | US10195181, Example 25b ...) Show SMILES Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C Show InChI InChI=1S/C23H34N4O5/c1-13-17(25-32-19(13)22-30-12-16(31-22)23(3,4)5)20(28)24-18-14(2)26(6)27(21(18)29)15-10-8-7-9-11-15/h15-16,22H,7-12H2,1-6H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...				US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2
					More data for this Ligand-Target Pair

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