Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'sun' and Initial = 'zh'   

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
Cocaine esterase (Homo sapiens (Human))	BDBM50291962 (CHEMBL4174080) Show SMILES CCCCCCCCC(=O)c1cccc(O)c1-c1cc2c(cccc2o1)C(=O)CCCCCCCC Show InChI InChI=1S/C32H42O4/c1-3-5-7-9-11-13-19-27(33)24-17-16-22-30-26(24)23-31(36-30)32-25(18-15-21-29(32)35)28(34)20-14-12-10-8-6-4-2/h15-18,21-23,35H,3-14,19-20H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					More data for this Ligand-Target Pair
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
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50130915 (CHEBI:3122 | CHEMBL1231178) Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CE1 in human liver microsomes using D-Luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition measu...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					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
Cocaine esterase (Homo sapiens (Human))	BDBM50291962 (CHEMBL4174080) Show SMILES CCCCCCCCC(=O)c1cccc(O)c1-c1cc2c(cccc2o1)C(=O)CCCCCCCC Show InChI InChI=1S/C32H42O4/c1-3-5-7-9-11-13-19-27(33)24-17-16-22-30-26(24)23-31(36-30)32-25(18-15-21-29(32)35)28(34)20-14-12-10-8-6-4-2/h15-18,21-23,35H,3-14,19-20H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					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
Cocaine esterase (Homo sapiens (Human))	BDBM50017698 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...) Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					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))	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
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))	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))	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))	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
Cocaine esterase (Homo sapiens (Human))	BDBM50291961 (CHEBI:69300 | paecilocin A) Show SMILES CCCCCCCC[C@@H]1OC(=O)c2c1cccc2O |r| Show InChI InChI=1S/C16H22O3/c1-2-3-4-5-6-7-11-14-12-9-8-10-13(17)15(12)16(18)19-14/h8-10,14,17H,2-7,11H2,1H3/t14-/m0/s1	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50291962 (CHEMBL4174080) Show SMILES CCCCCCCCC(=O)c1cccc(O)c1-c1cc2c(cccc2o1)C(=O)CCCCCCCC Show InChI InChI=1S/C32H42O4/c1-3-5-7-9-11-13-19-27(33)24-17-16-22-30-26(24)23-31(36-30)32-25(18-15-21-29(32)35)28(34)20-14-12-10-8-6-4-2/h15-18,21-23,35H,3-14,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CE1 in human liver microsomes using D-Luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition measu...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50291961 (CHEBI:69300 | paecilocin A) Show SMILES CCCCCCCC[C@@H]1OC(=O)c2c1cccc2O |r| Show InChI InChI=1S/C16H22O3/c1-2-3-4-5-6-7-11-14-12-9-8-10-13(17)15(12)16(18)19-14/h8-10,14,17H,2-7,11H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CE1 in human liver microsomes using D-Luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition measu...				Eur J Med Chem 145: 717-725 (2018) Article DOI: 10.1016/j.ejmech.2018.01.030 BindingDB Entry DOI: 10.7270/Q2542R46
					More data for this Ligand-Target Pair