Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'troxler' and Initial = 'tj'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM159251 (US9034874, 2.2) Show SMILES O=C(OC1CCN(CC1)c1cc[nH]c(=O)c1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H28N4O3/c24-18-14-16(4-7-20-18)21-8-5-17(6-9-21)26-19(25)23-12-10-22(11-13-23)15-2-1-3-15/h4,7,14-15,17H,1-3,5-6,8-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159252 (US9034874, 2.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1cc[nH]c(=O)c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-4-7-21(8-5-16)15-3-6-19-17(23)13-15/h3,6,13-14,16H,4-5,7-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159248 (US9034874, 1.5) Show SMILES Cn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159253 (US9034874, 3.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-5-7-21(8-6-16)15-3-4-17(23)19-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159246 (US9034874, 1.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C17H27N5O3/c1-13(2)20-9-11-22(12-10-20)17(24)25-14-5-7-21(8-6-14)15-3-4-16(23)19-18-15/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159244 (US9034874, 1.1) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C18H27N5O3/c24-17-5-4-16(19-20-17)22-8-6-15(7-9-22)26-18(25)23-12-10-21(11-13-23)14-2-1-3-14/h4-5,14-15H,1-3,6-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159253 (US9034874, 3.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-5-7-21(8-6-16)15-3-4-17(23)19-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159247 (US9034874, 1.4) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C17H25N5O3/c23-16-4-3-15(18-19-16)21-7-5-14(6-8-21)25-17(24)22-11-9-20(10-12-22)13-1-2-13/h3-4,13-14H,1-2,5-12H2,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159245 (US9034874, 1.2) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)n(C)n1 Show InChI InChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(25)26-15-6-8-22(9-7-15)16-4-5-17(24)20(3)19-16/h4-5,14-15H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159249 (US9034874, 1.6) Show SMILES CCn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C19H31N5O3/c1-4-24-18(25)6-5-17(20-24)22-9-7-16(8-10-22)27-19(26)23-13-11-21(12-14-23)15(2)3/h5-6,15-16H,4,7-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159250 (US9034874, 2.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccn(C)c(=O)c1 Show InChI InChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-5-8-22(9-6-17)16-4-7-20(3)18(24)14-16/h4,7,14-15,17H,5-6,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159246 (US9034874, 1.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C17H27N5O3/c1-13(2)20-9-11-22(12-10-20)17(24)25-14-5-7-21(8-6-14)15-3-4-16(23)19-18-15/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159252 (US9034874, 2.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1cc[nH]c(=O)c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-4-7-21(8-5-16)15-3-6-19-17(23)13-15/h3,6,13-14,16H,4-5,7-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159250 (US9034874, 2.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccn(C)c(=O)c1 Show InChI InChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-5-8-22(9-6-17)16-4-7-20(3)18(24)14-16/h4,7,14-15,17H,5-6,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159247 (US9034874, 1.4) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C17H25N5O3/c23-16-4-3-15(18-19-16)21-7-5-14(6-8-21)25-17(24)22-11-9-20(10-12-22)13-1-2-13/h3-4,13-14H,1-2,5-12H2,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159248 (US9034874, 1.5) Show SMILES Cn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159251 (US9034874, 2.2) Show SMILES O=C(OC1CCN(CC1)c1cc[nH]c(=O)c1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H28N4O3/c24-18-14-16(4-7-20-18)21-8-5-17(6-9-21)26-19(25)23-12-10-22(11-13-23)15-2-1-3-15/h4,7,14-15,17H,1-3,5-6,8-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159244 (US9034874, 1.1) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C18H27N5O3/c24-17-5-4-16(19-20-17)22-8-6-15(7-9-22)26-18(25)23-12-10-21(11-13-23)14-2-1-3-14/h4-5,14-15H,1-3,6-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159245 (US9034874, 1.2) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)n(C)n1 Show InChI InChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(25)26-15-6-8-22(9-7-15)16-4-5-17(24)20(3)19-16/h4-5,14-15H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159249 (US9034874, 1.6) Show SMILES CCn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C19H31N5O3/c1-4-24-18(25)6-5-17(20-24)22-9-7-16(8-10-22)27-19(26)23-13-11-21(12-14-23)15(2)3/h5-6,15-16H,4,7-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	44	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					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))	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 [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 [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 [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 (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))	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 [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 (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))	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	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 [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 (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 (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 [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 (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))	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))	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 [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 [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))	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))	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))	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))	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 (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

Displayed 1 to 50 (of 133 total )  |  Next  |  Last  >>

Jump to: