Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'pulz' and Initial = 'ra'   

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	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 [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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200756 (US9233111, 1) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2(F)CC2)c1C |c:8| Show InChI InChI=1S/C31H30F2N6O2/c1-18-23(14-22(32)15-25(18)37-29(40)20-4-6-21(7-5-20)31(33)10-11-31)27-24-16-26(36-28(24)35-17-34-27)19-8-12-39(13-9-19)30(41)38(2)3/h4-8,14-17H,9-13H2,1-3H3,(H,37,40)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200783 (US9233111, 17) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C2CC2)c1CO |c:8| Show InChI InChI=1S/C31H32N6O3/c1-36(2)31(40)37-14-12-21(13-15-37)27-16-24-28(32-18-33-29(24)34-27)23-4-3-5-26(25(23)17-38)35-30(39)22-10-8-20(9-11-22)19-6-7-19/h3-5,8-12,16,18-19,38H,6-7,13-15,17H2,1-2H3,(H,35,39)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					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))	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 (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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200888 (US9233111, 63) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)N2CC(C2)OC(C)(C)C)c1C |c:8| Show InChI InChI=1S/C29H36FN7O3/c1-17-20(7-8-22(30)24(17)34-27(38)37-14-19(15-37)40-29(2,3)4)25-21-13-23(33-26(21)32-16-31-25)18-9-11-36(12-10-18)28(39)35(5)6/h7-9,13,16,19H,10-12,14-15H2,1-6H3,(H,34,38)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200778 (US9233111, 16) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2F)C(C)(C)O)c1CO |c:8| Show InChI InChI=1S/C31H33FN6O4/c1-31(2,42)19-8-9-21(24(32)14-19)29(40)36-25-7-5-6-20(23(25)16-39)27-22-15-26(35-28(22)34-17-33-27)18-10-12-38(13-11-18)30(41)37(3)4/h5-10,14-15,17,39,42H,11-13,16H2,1-4H3,(H,36,40)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200887 (US9233111, 62) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)N2CC(C2)OC(C)(C)C)c1 |c:8| Show InChI InChI=1S/C28H34FN7O3/c1-28(2,3)39-19-14-36(15-19)26(37)33-23-12-18(6-7-21(23)29)24-20-13-22(32-25(20)31-16-30-24)17-8-10-35(11-9-17)27(38)34(4)5/h6-8,12-13,16,19H,9-11,14-15H2,1-5H3,(H,33,37)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200768 (US9233111, 6) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)(C)CO)c1C |c:8| Show InChI InChI=1S/C32H35FN6O3/c1-19-24(14-23(33)15-26(19)37-30(41)21-6-8-22(9-7-21)32(2,3)17-40)28-25-16-27(36-29(25)35-18-34-28)20-10-12-39(13-11-20)31(42)38(4)5/h6-10,14-16,18,40H,11-13,17H2,1-5H3,(H,37,41)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200766 (US9233111, 4) Show SMILES CC(C)N(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:35| Show InChI InChI=1S/C32H36FN7O2/c1-19(2)39(6)24-9-7-22(8-10-24)31(41)37-27-16-23(33)15-25(20(27)3)29-26-17-28(36-30(26)35-18-34-29)21-11-13-40(14-12-21)32(42)38(4)5/h7-11,15-19H,12-14H2,1-6H3,(H,37,41)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200802 (US9233111, 25) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCS(=O)CC1 |t:34| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200860 (US9233111, 47) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)O)c1CO |c:8| Show InChI InChI=1S/C33H36N6O4/c1-33(2,43)22-8-9-23-21(16-22)12-15-39(31(23)41)28-7-5-6-24(26(28)18-40)29-25-17-27(36-30(25)35-19-34-29)20-10-13-38(14-11-20)32(42)37(3)4/h5-10,16-17,19,40,43H,11-15,18H2,1-4H3,(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200881 (US9233111, 56) Show SMILES CN(C)C1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1CO |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					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 (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))	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200770 (US9233111, 8) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)=C)c1C |c:8| Show InChI InChI=1S/C31H31FN6O2/c1-18(2)20-6-8-22(9-7-20)30(39)36-26-15-23(32)14-24(19(26)3)28-25-16-27(35-29(25)34-17-33-28)21-10-12-38(13-11-21)31(40)37(4)5/h6-10,14-17H,1,11-13H2,2-5H3,(H,36,39)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200767 (US9233111, 5) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc3c(C)c[nH]c3c2)c1C |c:8| Show InChI InChI=1S/C31H30FN7O2/c1-17-15-33-27-11-20(5-6-22(17)27)30(40)37-25-13-21(32)12-23(18(25)2)28-24-14-26(36-29(24)35-16-34-28)19-7-9-39(10-8-19)31(41)38(3)4/h5-7,11-16,33H,8-10H2,1-4H3,(H,37,40)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200769 (US9233111, 7) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)N2CCCCC2)c1C |c:8| Show InChI InChI=1S/C33H36FN7O2/c1-21-26(17-24(34)18-28(21)38-32(42)23-7-9-25(10-8-23)40-13-5-4-6-14-40)30-27-19-29(37-31(27)36-20-35-30)22-11-15-41(16-12-22)33(43)39(2)3/h7-11,17-20H,4-6,12-16H2,1-3H3,(H,38,42)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200884 (US9233111, 59) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)N2Cc3ccc(F)cc3C2)c1C |c:8| Show InChI InChI=1S/C30H29F2N7O2/c1-17-23(11-22(32)12-25(17)36-29(40)39-14-19-4-5-21(31)10-20(19)15-39)27-24-13-26(35-28(24)34-16-33-27)18-6-8-38(9-7-18)30(41)37(2)3/h4-6,10-13,16H,7-9,14-15H2,1-3H3,(H,36,40)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200817 (US9233111, 31) Show SMILES CC(=O)OCC(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C |c:10| Show InChI InChI=1S/C32H30FN5O4/c1-18-25(13-24(33)14-27(18)37-32(41)23-7-5-21(6-8-23)20-3-4-20)30-26-15-28(36-31(26)35-17-34-30)22-9-11-38(12-10-22)29(40)16-42-19(2)39/h5-9,13-15,17,20H,3-4,10-12,16H2,1-2H3,(H,37,41)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200878 (US9233111, 55) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ncnc2[nH]c(cc12)C1=CCC(O)CC1 |t:34| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200775 (US9233111, 13) Show SMILES COC(C)(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:35| Show InChI InChI=1S/C32H35FN6O3/c1-19-24(15-23(33)16-26(19)37-30(40)21-7-9-22(10-8-21)32(2,3)42-6)28-25-17-27(36-29(25)35-18-34-28)20-11-13-39(14-12-20)31(41)38(4)5/h7-11,15-18H,12-14H2,1-6H3,(H,37,40)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200774 (US9233111, 12) Show SMILES COCC(C)(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:36| Show InChI InChI=1S/C33H37FN6O3/c1-20-25(15-24(34)16-27(20)38-31(41)22-7-9-23(10-8-22)33(2,3)18-43-6)29-26-17-28(37-30(26)36-19-35-29)21-11-13-40(14-12-21)32(42)39(4)5/h7-11,15-17,19H,12-14,18H2,1-6H3,(H,38,41)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200764 (US9233111, 2) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc3c(OCC3(C)C)c2)c1C |c:8| Show InChI InChI=1S/C32H33FN6O3/c1-18-22(13-21(33)14-25(18)37-30(40)20-6-7-24-27(12-20)42-16-32(24,2)3)28-23-15-26(36-29(23)35-17-34-28)19-8-10-39(11-9-19)31(41)38(4)5/h6-8,12-15,17H,9-11,16H2,1-5H3,(H,37,40)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200825 (US9233111, 36) Show SMILES Cc1c(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:36| Show InChI InChI=1S/C27H23F6N5O3S/c1-15-20(10-18(28)11-22(15)37-27(41)17-2-4-19(5-3-17)42(29,30,31,32)33)25-21-12-23(36-26(21)35-14-34-25)16-6-8-38(9-7-16)24(40)13-39/h2-6,10-12,14,39H,7-9,13H2,1H3,(H,37,41)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200819 (US9233111, 33) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N |t:34| Show InChI InChI=1S/C31H27FN6O2/c1-18-24(14-23(32)15-26(18)37-31(40)22-6-4-20(5-7-22)19-2-3-19)29-25-16-27(36-30(25)35-17-34-29)21-9-12-38(13-10-21)28(39)8-11-33/h4-7,9,14-17,19H,2-3,8,10,12-13H2,1H3,(H,37,40)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200773 (US9233111, 11) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)c1C |c:8| Show InChI InChI=1S/C28H26F6N6O2S/c1-16-21(12-19(29)13-23(16)38-27(41)18-4-6-20(7-5-18)43(30,31,32,33)34)25-22-14-24(37-26(22)36-15-35-25)17-8-10-40(11-9-17)28(42)39(2)3/h4-8,12-15H,9-11H2,1-3H3,(H,38,41)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200771 (US9233111, 9) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2(CC2)C(F)(F)F)c1C |c:8| Show InChI InChI=1S/C32H30F4N6O2/c1-18-23(27-24-16-26(39-28(24)38-17-37-27)19-8-12-42(13-9-19)30(44)41(2)3)14-22(33)15-25(18)40-29(43)20-4-6-21(7-5-20)31(10-11-31)32(34,35)36/h4-8,14-17H,9-13H2,1-3H3,(H,40,43)(H,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200765 (US9233111, 3) Show SMILES CC1CCc2sc(cc2C1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:35| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					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))	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 [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 (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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200784 (US9233111, 18) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)(O)C(F)(F)F)c1C |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200786 (US9233111, 20) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)c2ccc(cc2)C2CC2)c1 |c:8| Show InChI InChI=1S/C30H29FN6O2/c1-36(2)30(39)37-13-11-20(12-14-37)25-16-23-27(32-17-33-28(23)34-25)22-9-10-24(31)26(15-22)35-29(38)21-7-5-19(6-8-21)18-3-4-18/h5-11,15-18H,3-4,12-14H2,1-2H3,(H,35,38)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200789 (US9233111, 21) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)c2ccc(cc2)C(C)(C)CO)c1 |c:8| Show InChI InChI=1S/C31H33FN6O3/c1-31(2,17-39)22-8-5-20(6-9-22)29(40)36-26-15-21(7-10-24(26)32)27-23-16-25(35-28(23)34-18-33-27)19-11-13-38(14-12-19)30(41)37(3)4/h5-11,15-16,18,39H,12-14,17H2,1-4H3,(H,36,40)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200816 (US9233111, 30) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCCC1 |t:34| Show InChI InChI=1S/C33H33FN6O2/c1-20-26(16-25(34)17-28(20)38-32(41)24-8-6-22(7-9-24)21-4-5-21)30-27-18-29(37-31(27)36-19-35-30)23-10-14-40(15-11-23)33(42)39-12-2-3-13-39/h6-10,16-19,21H,2-5,11-15H2,1H3,(H,38,41)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200886 (US9233111, 61) Show SMILES Cc1c(NC(=O)N2CC(C2)OC(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:33| Show InChI InChI=1S/C26H30FN5O3/c1-15-19(23-20-11-22(16-5-7-34-8-6-16)30-24(20)29-14-28-23)9-17(27)10-21(15)31-25(33)32-12-18(13-32)35-26(2,3)4/h5,9-11,14,18H,6-8,12-13H2,1-4H3,(H,31,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM200818 (US9233111, 32) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:34| Show InChI InChI=1S/C30H28FN5O3/c1-17-23(12-22(31)13-25(17)35-30(39)21-6-4-19(5-7-21)18-2-3-18)28-24-14-26(34-29(24)33-16-32-28)20-8-10-36(11-9-20)27(38)15-37/h4-8,12-14,16,18,37H,2-3,9-11,15H2,1H3,(H,35,39)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9233111 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2V9C
					More data for this Ligand-Target Pair

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