Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'yoshida' and Initial = 'wy'   

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))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein substrate after 24 hrs by fluorescence assay				J Nat Prod 77: 1644-9 (2014) Article DOI: 10.1021/np500256w BindingDB Entry DOI: 10.7270/Q2GM88Z2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50325981 (CHEMBL1224769 | Topsentinol K Trisulfate) Show SMILES CC(C)C(\C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O)C(C)C |r| Show InChI InChI=1S/C30H52O12S3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,17-28H,10-16H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-3/b9-8-/t19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated cleavage of amyloid precursor protein after 16 hrs by spectrophotometry				J Nat Prod 73: 1597-600 (2010) Article DOI: 10.1021/np100374b BindingDB Entry DOI: 10.7270/Q28K799C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50357880 (CHEMBL1916315) Show SMILES C[C@H](CC(=O)[C@]1(CO1)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3 |r,c:19| Show InChI InChI=1S/C34H50O8/c1-19(16-25(35)34(18-41-34)20(2)29(39)40)21-10-14-33(7)23-8-9-24-30(3,4)26(42-28(38)17-27(36)37)12-13-31(24,5)22(23)11-15-32(21,33)6/h19-21,24,26H,8-18H2,1-7H3,(H,36,37)(H,39,40)/t19-,20-,21-,24+,26-,31-,32-,33+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated amyloid precursor protein cleavage after 16 hrs by chemiluminescent enzyme-fragment complementation assay				Bioorg Med Chem 19: 6581-6 (2011) Article DOI: 10.1016/j.bmc.2011.09.029 BindingDB Entry DOI: 10.7270/Q2W959MG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50003299 (CHEMBL469919) Show SMILES [Na+].[H][C@]12CCCC(C)(C)[C@]1([H])CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@]21[H])=C\OS([O-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.Na/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);/q;+1/p-1/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50478553 (CHEBI:80053 | nostocyclopeptide A1) Show SMILES [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](CC(C)C)NC2=O)[C@@H](C)CC |r,t:44| Show InChI InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/b39-16+/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of papaya papain				J Nat Prod 64: 54-9 (2001) Article DOI: 10.1021/np000316k BindingDB Entry DOI: 10.7270/Q2P84FMJ
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50478552 (CHEBI:80054 | nostocyclopeptide A2) Show SMILES [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](Cc1ccccc1)NC2=O)[C@@H](C)CC |r,t:44| Show InChI InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19+/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of papaya papain				J Nat Prod 64: 54-9 (2001) Article DOI: 10.1021/np000316k BindingDB Entry DOI: 10.7270/Q2P84FMJ
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50048707 (CHEMBL3315157) Show SMILES [H][C@]12CCc3cocc3[C@]1(CO)CCC1(O)C(C)=C(O)C(=O)C[C@]21C |r,t:19| Show InChI InChI=1S/C19H24O5/c1-11-16(22)14(21)7-17(2)15-4-3-12-8-24-9-13(12)18(15,10-20)5-6-19(11,17)23/h8-9,15,20,22-23H,3-7,10H2,1-2H3/t15-,17-,18-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein substrate after 24 hrs by fluorescence assay				J Nat Prod 77: 1644-9 (2014) Article DOI: 10.1021/np500256w BindingDB Entry DOI: 10.7270/Q2GM88Z2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50003300 (CHEMBL444779) Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@]12CCCC(C)(C)[C@]1([H])CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@]21[H])=C\OS([O-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.C8H13N5O/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);4,8H,9H2,1-3H3/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50003297 (CHEMBL474265) Show SMILES [#6]\[#7+](-[#6])=[#6](\[#7])-[#7].[H][C@]12[#6]-[#6]-[#6]C([#6])([#6])[C@]1([H])[#6]-[#6][C@]1([#6])[#6@@H](-[#6]-[#6]-c3ccoc3)\[#6](-[#6]-[#6][C@]21[H])=[#6]\[#8]S([#8-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.C3H9N3/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-6(2)3(4)5/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);1-2H3,(H3,4,5)/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50478553 (CHEBI:80053 | nostocyclopeptide A1) Show SMILES [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](CC(C)C)NC2=O)[C@@H](C)CC |r,t:44| Show InChI InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/b39-16+/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of plasmin				J Nat Prod 64: 54-9 (2001) Article DOI: 10.1021/np000316k BindingDB Entry DOI: 10.7270/Q2P84FMJ
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50478552 (CHEBI:80054 | nostocyclopeptide A2) Show SMILES [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](Cc1ccccc1)NC2=O)[C@@H](C)CC |r,t:44| Show InChI InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19+/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of plasmin				J Nat Prod 64: 54-9 (2001) Article DOI: 10.1021/np000316k BindingDB Entry DOI: 10.7270/Q2P84FMJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50478552 (CHEBI:80054 | nostocyclopeptide A2) Show SMILES [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](Cc1ccccc1)NC2=O)[C@@H](C)CC |r,t:44| Show InChI InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19+/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 64: 54-9 (2001) Article DOI: 10.1021/np000316k BindingDB Entry DOI: 10.7270/Q2P84FMJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50478553 (CHEBI:80053 | nostocyclopeptide A1) Show SMILES [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](CC(C)C)NC2=O)[C@@H](C)CC |r,t:44| Show InChI InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/b39-16+/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 64: 54-9 (2001) Article DOI: 10.1021/np000316k BindingDB Entry DOI: 10.7270/Q2P84FMJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50003298 (halisulphatesodium) Show SMILES [Na+].[H][C@@]12CCC[C@@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H48O6S.Na/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);/q;+1/p-1/b21-13+;/t22-,24+,27-,28+,30+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50190652 (CHEMBL3937141) Show SMILES [H][C@@]12C[C@@]3(C(=O)O1)C(=C[C@H]2O)[C@H](Cl)C[C@@]1([H])C2=C(CC[C@]31[H])[C@](C)(CC)CC2 |r,c:8,18,TLB:5:4:2:9.8.7| Show InChI InChI=1S/C21H27ClO3/c1-3-20(2)7-6-11-12-8-16(22)15-9-17(23)18-10-21(15,19(24)25-18)14(12)5-4-13(11)20/h9,12,14,16-18,23H,3-8,10H2,1-2H3/t12-,14-,16+,17+,18-,20+,21-/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	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) assessed as cleavage of amyloid precursor protein by beta-galactosidase enzyme complementation assay				J Nat Prod 79: 1464-7 (2016) Article DOI: 10.1021/acs.jnatprod.6b00042 BindingDB Entry DOI: 10.7270/Q2RV0QMT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321126 (CHEMBL1165416 | Xestosaprol H) Show SMILES C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9| Show InChI InChI=1S/C22H22O5/c1-22-6-5-17(24)15-11-27-21(19(15)22)20(25)14-10-13-12(9-16(14)22)3-2-4-18(13)26-8-7-23/h2-4,9-10,15,17,23-24H,5-8,11H2,1H3/t15-,17+,22-/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	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321128 (CHEMBL1163895 | Xestosaprol J) Show SMILES COc1cccc2cc3C(=O)C4=C5[C@@H](CO4)[C@@H](O)CC[C@@]5(C)c3cc12 |r,t:11| Show InChI InChI=1S/C21H20O4/c1-21-7-6-16(22)14-10-25-20(18(14)21)19(23)13-8-11-4-3-5-17(24-2)12(11)9-15(13)21/h3-5,8-9,14,16,22H,6-7,10H2,1-2H3/t14-,16-,21-/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	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321129 (CHEMBL1163540 | Xestosaprol K) Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3cccc(O)c3cc21 |r,t:9| Show InChI InChI=1S/C20H18O4/c1-20-6-5-16(22)13-9-24-19(17(13)20)18(23)12-7-10-3-2-4-15(21)11(10)8-14(12)20/h2-4,7-8,13,16,21-22H,5-6,9H2,1H3/t13-,16-,20-/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	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321130 (CHEMBL1163545 | Xestosaprol L) Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9| Show InChI InChI=1S/C20H18O3/c1-20-7-6-16(21)14-10-23-19(17(14)20)18(22)13-8-11-4-2-3-5-12(11)9-15(13)20/h2-5,8-9,14,16,21H,6-7,10H2,1H3/t14-,16-,20-/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	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321131 (CHEMBL1163828 | Xestosaprol M) Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3ccccc3cc21 |r| Show InChI InChI=1S/C20H16O2/c1-20-8-4-7-14-11-22-19(17(14)20)18(21)15-9-12-5-2-3-6-13(12)10-16(15)20/h2-3,5-6,9-11H,4,7-8H2,1H3/t20-/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	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321124 (CHEMBL1164756 | Xestosaprol F) Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9| Show InChI InChI=1S/C22H22O5/c1-22-6-5-17(24)15-11-27-21(19(15)22)20(25)14-10-13-12(9-16(14)22)3-2-4-18(13)26-8-7-23/h2-4,9-10,15,17,23-24H,5-8,11H2,1H3/t15-,17-,22-/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	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50003296 (CHEMBL507385 | halisulphate1-methylherbipoline) Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@@]12CCC[C@@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H48O6S.C8H13N5O/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);4,8H,9H2,1-3H3/b21-13+;/t22-,24+,27-,28+,30+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321125 (CHEMBL1164757 | Xestosaprol G) Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(O)cccc3cc21 |r,t:9| Show InChI InChI=1S/C20H18O4/c1-20-6-5-16(22)13-9-24-19(17(13)20)18(23)12-8-11-10(7-14(12)20)3-2-4-15(11)21/h2-4,7-8,13,16,21-22H,5-6,9H2,1H3/t13-,16-,20-/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	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50321127 (CHEMBL1164484 | Xestosaprol I) Show SMILES C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9| Show InChI InChI=1S/C20H18O3/c1-20-7-6-16(21)14-10-23-19(17(14)20)18(22)13-8-11-4-2-3-5-12(11)9-15(13)20/h2-5,8-9,14,16,21H,6-7,10H2,1H3/t14-,16+,20-/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	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair