Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'fujiwara' and Initial = 'k'   

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
Solute carrier organic anion transporter family member 1A4 (Rattus norvegicus)	BDBM18957 ((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes				Endocrinology 142: 2005-12 (2001) Article DOI: 10.1210/endo.142.5.8115 BindingDB Entry DOI: 10.7270/Q2GF0XB3
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1 (Rattus norvegicus)	BDBM50101853 ((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PGD2 uptake in Xenopus laevis oocytes				Biochem Biophys Res Commun 275: 831-8 (2000) Article DOI: 10.1006/bbrc.2000.3377 BindingDB Entry DOI: 10.7270/Q2DN46J2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier organic anion transporter family member 2B1 (Rattus norvegicus)	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PGD2 uptake in Xenopus laevis oocytes				Biochem Biophys Res Commun 275: 831-8 (2000) Article DOI: 10.1006/bbrc.2000.3377 BindingDB Entry DOI: 10.7270/Q2DN46J2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493633 (CHEMBL2437434) Show SMILES OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2cccc(c2)-c2ccccc2)N=C1N |r,c:29| Show InChI InChI=1S/C20H23N3O.C2HF3O2/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16;3-2(4,5)1(6)7/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22);(H,6,7)/t20-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493644 (CHEMBL2437437) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(\C=C\c2ccccc2)c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:35| Show InChI InChI=1S/C23H25N3O.C2HF3O2/c1-23(15-21(27)26(2)22(24)25-23)20-14-19(20)18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-13,19-20H,14-15H2,1-2H3,(H2,24,25);(H,6,7)/b12-11+;/t19-,20+,23-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493654 (CHEMBL2437444) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(OC)c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:35| Show InChI InChI=1S/C22H25N3O2.C2HF3O2/c1-22(13-20(26)25(2)21(23)24-22)19-12-18(19)16-8-4-6-14(10-16)15-7-5-9-17(11-15)27-3;3-2(4,5)1(6)7/h4-11,18-19H,12-13H2,1-3H3,(H2,23,24);(H,6,7)/t18-,19+,22-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493647 (CHEMBL2437436) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(CCc2ccccc2)c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:35| Show InChI InChI=1S/C23H27N3O.C2HF3O2/c1-23(15-21(27)26(2)22(24)25-23)20-14-19(20)18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;3-2(4,5)1(6)7/h3-10,13,19-20H,11-12,14-15H2,1-2H3,(H2,24,25);(H,6,7)/t19-,20+,23-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493635 (CHEMBL2437441) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1cccs1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:32| Show InChI InChI=1S/C19H21N3OS.C2HF3O2/c1-19(11-17(23)22(2)18(20)21-19)15-10-14(15)12-5-3-6-13(9-12)16-7-4-8-24-16;3-2(4,5)1(6)7/h3-9,14-15H,10-11H2,1-2H3,(H2,20,21);(H,6,7)/t14-,15+,19-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493650 (CHEMBL2437443) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1ccccc1OC)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:35| Show InChI InChI=1S/C22H25N3O2.C2HF3O2/c1-22(13-20(26)25(2)21(23)24-22)18-12-17(18)15-8-6-7-14(11-15)16-9-4-5-10-19(16)27-3;3-2(4,5)1(6)7/h4-11,17-18H,12-13H2,1-3H3,(H2,23,24);(H,6,7)/t17-,18+,22-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493634 (CHEMBL2437438) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1ccsc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:32| Show InChI InChI=1S/C19H21N3OS.C2HF3O2/c1-19(10-17(23)22(2)18(20)21-19)16-9-15(16)13-5-3-4-12(8-13)14-6-7-24-11-14;3-2(4,5)1(6)7/h3-8,11,15-16H,9-10H2,1-2H3,(H2,20,21);(H,6,7)/t15-,16+,19-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493637 (CHEMBL2437446) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(OCCC)c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:37| Show InChI InChI=1S/C24H29N3O2.C2HF3O2/c1-4-11-29-19-10-6-8-17(13-19)16-7-5-9-18(12-16)20-14-21(20)24(2)15-22(28)27(3)23(25)26-24;3-2(4,5)1(6)7/h5-10,12-13,20-21H,4,11,14-15H2,1-3H3,(H2,25,26);(H,6,7)/t20-,21+,24-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493643 (CHEMBL2437442) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:33| Show InChI InChI=1S/C21H23N3O.C2HF3O2/c1-21(13-19(25)24(2)20(22)23-21)18-12-17(18)16-10-6-9-15(11-16)14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-11,17-18H,12-13H2,1-2H3,(H2,22,23);(H,6,7)/t17-,18+,21-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493655 (CHEMBL2437439) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1cccnc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:33| Show InChI InChI=1S/C20H22N4O.C2HF3O2/c1-20(11-18(25)24(2)19(21)23-20)17-10-16(17)14-6-3-5-13(9-14)15-7-4-8-22-12-15;3-2(4,5)1(6)7/h3-9,12,16-17H,10-11H2,1-2H3,(H2,21,23);(H,6,7)/t16-,17+,20-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493649 (CHEMBL2434994) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(NC(C)=O)c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:37| Show InChI InChI=1S/C23H26N4O2.C2HF3O2/c1-14(28)25-18-9-5-7-16(11-18)15-6-4-8-17(10-15)19-12-20(19)23(2)13-21(29)27(3)22(24)26-23;3-2(4,5)1(6)7/h4-11,19-20H,12-13H2,1-3H3,(H2,24,26)(H,25,28);(H,6,7)/t19-,20+,23-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493641 (CHEMBL2437454) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493636 (CHEMBL2437440) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(CO)c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:35| Show InChI InChI=1S/C22H25N3O2.C2HF3O2/c1-22(12-20(27)25(2)21(23)24-22)19-11-18(19)17-8-4-7-16(10-17)15-6-3-5-14(9-15)13-26;3-2(4,5)1(6)7/h3-10,18-19,26H,11-13H2,1-2H3,(H2,23,24);(H,6,7)/t18-,19+,22-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493648 (CHEMBL2437445) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1cccc(c1)-c1ccc(OC)cc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:35| Show InChI InChI=1S/C22H25N3O2.C2HF3O2/c1-22(13-20(26)25(2)21(23)24-22)19-12-18(19)16-6-4-5-15(11-16)14-7-9-17(27-3)10-8-14;3-2(4,5)1(6)7/h4-11,18-19H,12-13H2,1-3H3,(H2,23,24);(H,6,7)/t18-,19+,22-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493642 (CHEMBL2437452) Show SMILES OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N |r,c:22| Show InChI InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493646 (CHEMBL2437449) Show SMILES OC(=O)C(F)(F)F.[H][C@@]1(C[C@@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15+;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493651 (CHEMBL2437450) Show SMILES OC(=O)C(F)(F)F.[H][C@@]1(C[C@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493652 (CHEMBL2437453) Show SMILES OC(=O)C(F)(F)F.CN1C(=O)C[C@](C)(CCc2ccccc2)N=C1N |r,c:22| Show InChI InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493653 (CHEMBL2437447) Show SMILES OC(=O)C(F)(F)F.[H][C@@]1(C[C@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493645 (CHEMBL2437456) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493640 (CHEMBL2437455) Show SMILES OC(=O)C(F)(F)F.[H][C@@]1(C[C@@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493639 (CHEMBL2437451) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493638 (CHEMBL2437448) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12-,15+;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493641 (CHEMBL2437454) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(C[C@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:26| Show InChI InChI=1S/C15H19N3O.C2HF3O2/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10;3-2(4,5)1(6)7/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17);(H,6,7)/t11-,12+,15-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to human recombinant BACE1 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50493642 (CHEMBL2437452) Show SMILES OC(=O)C(F)(F)F.CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N |r,c:22| Show InChI InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to human recombinant BACE1 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair