Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'shuto' and Initial = 'd'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50141551 (5-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamin...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44N6O11/c1-16(2)10-24(38-29(43)25(17(3)4)39-27(41)22(34)15-35-33(49)50)28(42)37-23(11-18-8-6-5-7-9-18)26(40)30(44)36-21-13-19(31(45)46)12-20(14-21)32(47)48/h5-9,12-14,16-17,22-26,35,40H,10-11,15,34H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)(H,45,46)(H,47,48)(H,49,50)/t22-,23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Beta-secretase 1 was evaluated				Bioorg Med Chem Lett 14: 1527-31 (2004) Article DOI: 10.1016/j.bmcl.2003.12.088 BindingDB Entry DOI: 10.7270/Q2V987H4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50157441 (5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against beta-secretase 1 (BACE1)				Bioorg Med Chem Lett 15: 211-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.090 BindingDB Entry DOI: 10.7270/Q2FN15Q2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50157442 (5-{3-[2-((S)-2-{(S)-2-Amino-3-[((S)-oxalyl)-amino]...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H44N6O12/c1-16(2)10-24(39-29(44)25(17(3)4)40-27(42)22(35)15-36-31(46)34(51)52)28(43)38-23(11-18-8-6-5-7-9-18)26(41)30(45)37-21-13-19(32(47)48)12-20(14-21)33(49)50/h5-9,12-14,16-17,22-26,41H,10-11,15,35H2,1-4H3,(H,36,46)(H,37,45)(H,38,43)(H,39,44)(H,40,42)(H,47,48)(H,49,50)(H,51,52)/t22-,23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against beta-secretase 1 (BACE1)				Bioorg Med Chem Lett 15: 211-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.090 BindingDB Entry DOI: 10.7270/Q2FN15Q2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50157439 (3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against beta-secretase 1 (BACE1)				Bioorg Med Chem Lett 15: 211-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.090 BindingDB Entry DOI: 10.7270/Q2FN15Q2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50141552 (3-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamin...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C32H44N6O9/c1-17(2)13-24(37-29(42)25(18(3)4)38-27(40)22(33)16-34-32(46)47)28(41)36-23(14-19-9-6-5-7-10-19)26(39)30(43)35-21-12-8-11-20(15-21)31(44)45/h5-12,15,17-18,22-26,34,39H,13-14,16,33H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/t22-,23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Beta-secretase 1 was evaluated				Bioorg Med Chem Lett 14: 1527-31 (2004) Article DOI: 10.1016/j.bmcl.2003.12.088 BindingDB Entry DOI: 10.7270/Q2V987H4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50157438 (3-{3-[2-((S)-2-{(S)-2-Amino-3-[((S)-oxalyl)-amino]...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C33H44N6O10/c1-17(2)13-24(38-29(43)25(18(3)4)39-27(41)22(34)16-35-31(45)33(48)49)28(42)37-23(14-19-9-6-5-7-10-19)26(40)30(44)36-21-12-8-11-20(15-21)32(46)47/h5-12,15,17-18,22-26,40H,13-14,16,34H2,1-4H3,(H,35,45)(H,36,44)(H,37,42)(H,38,43)(H,39,41)(H,46,47)(H,48,49)/t22-,23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against beta-secretase 1 (BACE1)				Bioorg Med Chem Lett 15: 211-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.090 BindingDB Entry DOI: 10.7270/Q2FN15Q2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50141553 (5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxyb...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H45N5O11/c1-17(2)12-25(38-31(45)27(18(3)4)39-29(43)23(35)10-11-26(40)41)30(44)37-24(13-19-8-6-5-7-9-19)28(42)32(46)36-22-15-20(33(47)48)14-21(16-22)34(49)50/h5-9,14-18,23-25,27-28,42H,10-13,35H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,40,41)(H,47,48)(H,49,50)/t23-,24-,25-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Beta-secretase 1 was evaluated				Bioorg Med Chem Lett 14: 1527-31 (2004) Article DOI: 10.1016/j.bmcl.2003.12.088 BindingDB Entry DOI: 10.7270/Q2V987H4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50141550 ((S)-2-{(S)-2-[(S)-2-((S)-3-{(S)-2-[(S)-2-(2-Amino-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C37H56N8O15/c1-17(2)13-24(43-34(55)28(18(3)4)45-31(52)21(38)16-39-37(59)60)33(54)42-23(14-20-9-7-6-8-10-20)29(50)35(56)44-25(15-27(48)49)32(53)40-19(5)30(51)41-22(36(57)58)11-12-26(46)47/h6-10,17-19,21-25,28-29,39,50H,11-16,38H2,1-5H3,(H,40,53)(H,41,51)(H,42,54)(H,43,55)(H,44,56)(H,45,52)(H,46,47)(H,48,49)(H,57,58)(H,59,60)/t19-,21-,22-,23-,24-,25-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Beta-secretase 1 was evaluated				Bioorg Med Chem Lett 14: 1527-31 (2004) Article DOI: 10.1016/j.bmcl.2003.12.088 BindingDB Entry DOI: 10.7270/Q2V987H4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50157440 ((S)-2-[(S)-2-((S)-2-{3-[2-((S)-2-{(S)-2-Amino-3-[(...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C38H56N8O16/c1-17(2)13-24(44-34(56)28(18(3)4)46-31(53)21(39)16-40-36(58)38(61)62)33(55)43-23(14-20-9-7-6-8-10-20)29(51)35(57)45-25(15-27(49)50)32(54)41-19(5)30(52)42-22(37(59)60)11-12-26(47)48/h6-10,17-19,21-25,28-29,51H,11-16,39H2,1-5H3,(H,40,58)(H,41,54)(H,42,52)(H,43,55)(H,44,56)(H,45,57)(H,46,53)(H,47,48)(H,49,50)(H,59,60)(H,61,62)/t19-,21-,22-,23-,24-,25-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against beta-secretase 1 (BACE1)				Bioorg Med Chem Lett 15: 211-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.090 BindingDB Entry DOI: 10.7270/Q2FN15Q2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50136233 (CHEMBL406146 | HGluValLeuPnsAspAlaGluPheOH | KMI-0...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C47H66N8O16/c1-24(2)20-32(52-45(68)38(25(3)4)55-41(64)29(48)16-18-35(56)57)44(67)51-31(21-27-12-8-6-9-13-27)39(62)46(69)53-33(23-37(60)61)43(66)49-26(5)40(63)50-30(17-19-36(58)59)42(65)54-34(47(70)71)22-28-14-10-7-11-15-28/h6-15,24-26,29-34,38-39,62H,16-23,48H2,1-5H3,(H,49,66)(H,50,63)(H,51,67)(H,52,68)(H,53,69)(H,54,65)(H,55,64)(H,56,57)(H,58,59)(H,60,61)(H,70,71)/t26-,29-,30-,31-,32-,33-,34-,38-,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Beta-secretase 1 was determined				Bioorg Med Chem Lett 13: 4273-6 (2003) BindingDB Entry DOI: 10.7270/Q26H4GTQ
					More data for this Ligand-Target Pair