Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50008142   

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))	BDBM50516150 (CHEMBL4534367) Show SMILES COc1ccc(cc1OC)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19| Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(14-19)17-12-13-20(29-2)21(15-17)30-3/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516152 (CHEMBL4474090) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)cc1F |c:3| Show InChI InChI=1S/C23H20FN3O/c1-15-11-12-19(20(24)13-15)16-7-6-10-18(14-16)23(17-8-4-3-5-9-17)21(28)27(2)22(25)26-23/h3-14H,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516167 (CHEMBL4463504) Show SMILES COc1ccc(F)cc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:18| Show InChI InChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(24)11-12-20(19)29-2/h3-14H,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516164 (CHEMBL4550145) Show SMILES COc1ccc(OC)c(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19| Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-9-5-4-6-10-17)18-11-7-8-16(14-18)20-15-19(29-2)12-13-21(20)30-3/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516160 (CHEMBL4445450) Show SMILES COc1cccc(-c2cccc(c2)C2(N=C(N)N(C)C2=O)c2ccccc2)c1F |t:15| Show InChI InChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-9-4-3-5-10-16)17-11-6-8-15(14-17)18-12-7-13-19(29-2)20(18)24/h3-14H,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50012632 (CHEMBL2333941) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |r,c:6| Show InChI InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516166 (CHEMBL4434956) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(F)ccc1C |c:3| Show InChI InChI=1S/C23H20FN3O/c1-15-11-12-19(24)14-20(15)16-7-6-10-18(13-16)23(17-8-4-3-5-9-17)21(28)27(2)22(25)26-23/h3-14H,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516156 (CHEMBL4547714) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)c(C)c1 |c:3| Show InChI InChI=1S/C24H23N3O/c1-16-12-13-19(14-17(16)2)18-8-7-11-21(15-18)24(20-9-5-4-6-10-20)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516147 (CHEMBL4453649) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(F)cc1C |c:3| Show InChI InChI=1S/C23H20FN3O/c1-15-13-19(24)11-12-20(15)16-7-6-10-18(14-16)23(17-8-4-3-5-9-17)21(28)27(2)22(25)26-23/h3-14H,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	456	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516153 (CHEMBL4463101) Show SMILES COc1cccc(OC)c1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19| Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-10-5-4-6-11-17)18-12-7-9-16(15-18)21-19(29-2)13-8-14-20(21)30-3/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516149 (CHEMBL4537971) Show SMILES COc1cc(OC)cc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19| Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(12-19)17-13-20(29-2)15-21(14-17)30-3/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516157 (CHEMBL4443833) Show SMILES COc1cccc(-c2cccc(c2)C2(N=C(N)N(C)C2=O)c2ccccc2)c1OC |t:15| Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-10-5-4-6-11-17)18-12-7-9-16(15-18)19-13-8-14-20(29-2)21(19)30-3/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516146 (CHEMBL4543671) Show SMILES COc1ccc(c(OC)c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19| Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,17-9-5-4-6-10-17)18-11-7-8-16(14-18)20-13-12-19(29-2)15-21(20)30-3/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300229 (1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3| Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516165 (CHEMBL4476191) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C28H23N3O/c1-31-26(32)28(30-27(31)29,24-15-6-3-7-16-24)25-17-9-14-23(19-25)22-13-8-12-21(18-22)20-10-4-2-5-11-20/h2-19H,1H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516163 (CHEMBL4587978) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(C)ccc1C |c:3| Show InChI InChI=1S/C24H23N3O/c1-16-12-13-17(2)21(14-16)18-8-7-11-20(15-18)24(19-9-5-4-6-10-19)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516162 (CHEMBL4471803) Show SMILES CCc1ccc(cc1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:17| Show InChI InChI=1S/C24H23N3O/c1-3-17-12-14-18(15-13-17)19-8-7-11-21(16-19)24(20-9-5-4-6-10-20)22(28)27(2)23(25)26-24/h4-16H,3H2,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516161 (CHEMBL4451087) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1c(C)cc(C)cc1C |c:3| Show InChI InChI=1S/C25H25N3O/c1-16-13-17(2)22(18(3)14-16)19-9-8-12-21(15-19)25(20-10-6-5-7-11-20)23(29)28(4)24(26)27-25/h5-15H,1-4H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516159 (CHEMBL4441458) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(OCc2ccccc2)cc1 |c:3| Show InChI InChI=1S/C29H25N3O2/c1-32-27(33)29(31-28(32)30,24-12-6-3-7-13-24)25-14-8-11-23(19-25)22-15-17-26(18-16-22)34-20-21-9-4-2-5-10-21/h2-19H,20H2,1H3,(H2,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516158 (CHEMBL4573307) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)cc1C |c:3| Show InChI InChI=1S/C24H23N3O/c1-16-12-13-21(17(2)14-16)18-8-7-11-20(15-18)24(19-9-5-4-6-10-19)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516155 (CHEMBL4519732) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(C)cc(C)c1 |c:3| Show InChI InChI=1S/C24H23N3O/c1-16-12-17(2)14-19(13-16)18-8-7-11-21(15-18)24(20-9-5-4-6-10-20)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516154 (CHEMBL4468332) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1c(C)cccc1C |c:3| Show InChI InChI=1S/C24H23N3O/c1-16-9-7-10-17(2)21(16)18-11-8-14-20(15-18)24(19-12-5-4-6-13-19)22(28)27(3)23(25)26-24/h4-15H,1-3H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516151 (CHEMBL4453759) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(cc1)C(C)(C)C |c:3| Show InChI InChI=1S/C26H27N3O/c1-25(2,3)20-15-13-18(14-16-20)19-9-8-12-22(17-19)26(21-10-6-5-7-11-21)23(30)29(4)24(27)28-26/h5-17H,1-4H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516148 (CHEMBL4513532) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(cc1)-c1ccccc1 |c:3| Show InChI InChI=1S/C28H23N3O/c1-31-26(32)28(30-27(31)29,24-12-6-3-7-13-24)25-14-8-11-23(19-25)22-17-15-21(16-18-22)20-9-4-2-5-10-20/h2-19H,1H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50516145 (CHEMBL4521033) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Br)c1 |c:3| Show InChI InChI=1S/C16H14BrN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126772 BindingDB Entry DOI: 10.7270/Q2959MX3
					More data for this Ligand-Target Pair