Compile Data Set for Download or QSAR

Found 625 hits with Last Name = 'jacquier' and Initial = 's'   

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
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586261 (CHEMBL5078689) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586259 (CHEMBL5090067) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586260 (CHEMBL5079910) Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586260 (CHEMBL5079910) Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586259 (CHEMBL5090067) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followe...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human whole blood assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins follow...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586256 (CHEMBL5085458) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116254 (US10035794, Example 31 | US10683287, Example 31 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7| Show InChI InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116254 (US10035794, Example 31 | US10683287, Example 31 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7| Show InChI InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586258 (CHEMBL5085289) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(C)cc12)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116254 (US10035794, Example 31 | US10683287, Example 31 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7| Show InChI InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543163 (CHEMBL4642652) Show SMILES F[C@@H]1CNCC[C@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586253 (CHEMBL5077018) Show SMILES COc1cc2c(n[nH]c2cc1-c1cc(C)nc(C)c1)C(=O)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586255 (CHEMBL5077828) Show SMILES COc1cc2c(n[nH]c2cc1-c1ccnc(C)c1F)C(=O)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586256 (CHEMBL5085458) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586258 (CHEMBL5085289) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(C)cc12)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586249 (CHEMBL5080083) Show SMILES COc1cc2cc[nH]c2cc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Mus musculus)	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 | US10683287, Example 11 | ...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human whole blood assessed as inhibition of R848-induced TNFalpha production preincubated for 30 mins followed by R848...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followe...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586260 (CHEMBL5079910) Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586253 (CHEMBL5077018) Show SMILES COc1cc2c(n[nH]c2cc1-c1cc(C)nc(C)c1)C(=O)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543162 (CHEMBL4644098) Show SMILES FC(F)(F)c1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12 Show InChI InChI=1S/C21H21F3N4O/c22-21(23,24)17-11-13(16-3-4-19(29)27-9-1-2-18(16)27)10-14-12-28(26-20(14)17)15-5-7-25-8-6-15/h3-4,10-12,15,25H,1-2,5-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM116257 (US10035794, Example 34 | US10683287, Example 34 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,c:7| Show InChI InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM116247 (US10035794, Example 24 | US10683287, Example 35 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586252 (CHEMBL5086681) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586259 (CHEMBL5090067) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM362702 (US9840498, 29) Show SMILES CCOc1ncc(cn1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C30H26FN9O3/c1-3-43-30-34-13-17(14-35-30)24-21(31)9-10-22-25(24)28(42)40(18-7-5-4-6-8-18)27(37-22)23-11-19(41)15-39(23)26-20(12-32)16(2)36-29(33)38-26/h4-10,13-14,19,23,41H,3,11,15H2,1-2H3,(H2,33,36,38)/t19-,23-/m0/s1	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	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 | US10683287, Example 11 | ...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM362679 (US9840498, 5) Show SMILES Cn1cc(cn1)-c1c(F)ccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C27H22FN9O/c1-35-14-16(13-33-35)22-19(28)9-10-20-23(22)27(38)37(17-6-3-2-4-7-17)26(34-20)21-8-5-11-36(21)25-18(12-29)24(30)31-15-32-25/h2-4,6-7,9-10,13-15,21H,5,8,11H2,1H3,(H2,30,31,32)/t21-/m0/s1	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	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 | US10683287, Example 11 | ...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 | US10683287, Example 11 | ...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543149 (CHEMBL4649727) Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12 Show InChI InChI=1S/C21H24N4O/c1-14-11-15(18-4-5-20(26)24-10-2-3-19(18)24)12-16-13-25(23-21(14)16)17-6-8-22-9-7-17/h4-5,11-13,17,22H,2-3,6-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586261 (CHEMBL5078689) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM116244 (US10035794, Example 20 | US10683287, Example 20 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116233 (US10035794, Example 8 | US10683287, Example 8 | US...) Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM362697 (US9840498, 24) Show SMILES Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3cccc(-c4cccnc4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C29H24N8O2/c1-17-22(14-30)26(35-29(31)33-17)36-16-20(38)13-24(36)27-34-23-11-5-10-21(18-7-6-12-32-15-18)25(23)28(39)37(27)19-8-3-2-4-9-19/h2-12,15,20,24,38H,13,16H2,1H3,(H2,31,33,35)/t20-,24-/m0/s1	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	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM362698 (US9840498, 25) Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C30H26N8O3/c1-17-23(13-31)27(36-30(32)34-17)37-16-20(39)12-25(37)28-35-24-10-6-9-22(18-11-21(41-2)15-33-14-18)26(24)29(40)38(28)19-7-4-3-5-8-19/h3-11,14-15,20,25,39H,12,16H2,1-2H3,(H2,32,34,36)/t20-,25-/m0/s1	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	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM362705 (US9840498, 32) Show SMILES CCOc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C30H27N9O2/c1-3-41-30-33-16-19(17-34-30)21-11-7-12-23-25(21)28(40)39(20-9-5-4-6-10-20)27(36-23)24-13-8-14-38(24)26-22(15-31)18(2)35-29(32)37-26/h4-7,9-12,16-17,24H,3,8,13-14H2,1-2H3,(H2,32,35,37)/t24-/m0/s1	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	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116233 (US10035794, Example 8 | US10683287, Example 8 | US...) Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116245 (US10035794, Example 22 | US10683287, Example 22 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1 |r,c:7| Show InChI InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM445520 (US10683287, Example 46) Show SMILES Cc1cn(nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F |r,c:25| Show InChI InChI=1S/C18H18F6N6O2/c1-8-6-30(15(20)21)29-11(8)13(31)27-10-5-4-9(19)12(26-10)16(2)7-32-17(3,14(25)28-16)18(22,23)24/h4-6,15H,7H2,1-3H3,(H2,25,28)(H,26,27,31)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116245 (US10035794, Example 22 | US10683287, Example 22 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1 |r,c:7| Show InChI InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair

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