Compile Data Set for Download or QSAR

Found 854 hits with Last Name = 'choi' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377859 (CHEMBL260621) Show SMILES CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C32H36F4N4O3/c1-32(2,3)22-6-4-5-19(7-22)15-37-16-29(41)27(12-20-8-23(33)13-24(34)9-20)38-30(42)28-18-40(31(43)39-28)17-21-10-25(35)14-26(36)11-21/h4-11,13-14,27-29,37,41H,12,15-18H2,1-3H3,(H,38,42)(H,39,43)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377841 (CHEMBL260834) Show SMILES CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C32H38F2N4O3/c1-32(2,3)24-11-7-10-22(12-24)17-35-18-29(39)27(15-21-8-5-4-6-9-21)36-30(40)28-20-38(31(41)37-28)19-23-13-25(33)16-26(34)14-23/h4-14,16,27-29,35,39H,15,17-20H2,1-3H3,(H,36,40)(H,37,41)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377860 (CHEMBL411917) Show SMILES CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C31H36F2N4O3/c1-20(2)24-10-6-9-22(11-24)16-34-17-29(38)27(14-21-7-4-3-5-8-21)35-30(39)28-19-37(31(40)36-28)18-23-12-25(32)15-26(33)13-23/h3-13,15,20,27-29,34,38H,14,16-19H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377840 (CHEMBL405889) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-22-11-23(31)15-24(32)12-22)34-29(39)27-19-37(30(40)35-27)18-20-7-4-3-5-8-20/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377847 (CHEMBL413999) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-23(31)15-24(32)12-22/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377859 (CHEMBL260621) Show SMILES CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C32H36F4N4O3/c1-32(2,3)22-6-4-5-19(7-22)15-37-16-29(41)27(12-20-8-23(33)13-24(34)9-20)38-30(42)28-18-40(31(43)39-28)17-21-10-25(35)14-26(36)11-21/h4-11,13-14,27-29,37,41H,12,15-18H2,1-3H3,(H,38,42)(H,39,43)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377855 (CHEMBL406317) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1 |r| Show InChI InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377841 (CHEMBL260834) Show SMILES CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C32H38F2N4O3/c1-32(2,3)24-11-7-10-22(12-24)17-35-18-29(39)27(15-21-8-5-4-6-9-21)36-30(40)28-20-38(31(41)37-28)19-23-13-25(33)16-26(34)14-23/h4-14,16,27-29,35,39H,15,17-20H2,1-3H3,(H,36,40)(H,37,41)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377851 (CHEMBL405204) Show SMILES COc1cc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)cc(OC)c1 Show InChI InChI=1S/C32H41N5O5/c1-36(2)25-12-8-11-23(13-25)18-33-19-30(38)28(16-22-9-6-5-7-10-22)34-31(39)29-21-37(32(40)35-29)20-24-14-26(41-3)17-27(15-24)42-4/h5-15,17,28-30,33,38H,16,18-21H2,1-4H3,(H,34,39)(H,35,40)/t28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377860 (CHEMBL411917) Show SMILES CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C31H36F2N4O3/c1-20(2)24-10-6-9-22(11-24)16-34-17-29(38)27(14-21-7-4-3-5-8-21)35-30(39)28-19-37(31(40)36-28)18-23-12-25(32)15-26(33)13-23/h3-13,15,20,27-29,34,38H,14,16-19H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377845 (CHEMBL260722) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1 Show InChI InChI=1S/C31H36F3N5O3/c1-38(2)24-13-8-11-22(15-24)17-35-18-28(40)26(16-21-9-4-3-5-10-21)36-29(41)27-20-39(30(42)37-27)19-23-12-6-7-14-25(23)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377852 (CHEMBL261655) Show SMILES COc1cccc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)c1 |r| Show InChI InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377846 (CHEMBL410865) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1 Show InChI InChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377845 (CHEMBL260722) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1 Show InChI InChI=1S/C31H36F3N5O3/c1-38(2)24-13-8-11-22(15-24)17-35-18-28(40)26(16-21-9-4-3-5-10-21)36-29(41)27-20-39(30(42)37-27)19-23-12-6-7-14-25(23)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377849 (CHEMBL260634) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377850 (CHEMBL260635) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1 Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-10-6-9-23(15-25)17-32-18-28(37)26(16-21-7-4-3-5-8-21)33-29(38)27-20-36(30(39)34-27)19-22-11-13-24(31)14-12-22/h3-15,26-28,32,37H,16-20H2,1-2H3,(H,33,38)(H,34,39)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377837 (CHEMBL411124) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C30H37N5O3/c1-34(2)25-15-9-14-24(16-25)18-31-19-28(36)26(17-22-10-5-3-6-11-22)32-29(37)27-21-35(30(38)33-27)20-23-12-7-4-8-13-23/h3-16,26-28,31,36H,17-21H2,1-2H3,(H,32,37)(H,33,38)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377844 (CHEMBL258462) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(cc3)C(F)(F)F)C(=O)N2)c1 Show InChI InChI=1S/C31H36F3N5O3/c1-38(2)25-10-6-9-23(15-25)17-35-18-28(40)26(16-21-7-4-3-5-8-21)36-29(41)27-20-39(30(42)37-27)19-22-11-13-24(14-12-22)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377842 (CHEMBL259083) Show SMILES O[C@H](CNCc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C29H31F3N4O4/c30-29(31,32)40-23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377858 (CHEMBL411237) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C31H39N5O3/c1-35(2)26-15-9-14-25(18-26)20-32-21-29(37)27(19-24-12-7-4-8-13-24)33-30(38)28-22-36(31(39)34-28)17-16-23-10-5-3-6-11-23/h3-15,18,27-29,32,37H,16-17,19-22H2,1-2H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377840 (CHEMBL405889) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-22-11-23(31)15-24(32)12-22)34-29(39)27-19-37(30(40)35-27)18-20-7-4-3-5-8-20/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377849 (CHEMBL260634) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377847 (CHEMBL413999) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)25-10-6-9-21(13-25)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-23(31)15-24(32)12-22/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377856 (CHEMBL441728) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CN(Cc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C31H39N5O3/c1-31(22-36(30(39)34-31)21-24-13-8-5-9-14-24)29(38)33-27(18-23-11-6-4-7-12-23)28(37)20-32-19-25-15-10-16-26(17-25)35(2)3/h4-17,27-28,32,37H,18-22H2,1-3H3,(H,33,38)(H,34,39)/t27-,28+,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	431	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377852 (CHEMBL261655) Show SMILES COc1cccc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)c1 |r| Show InChI InChI=1S/C31H39N5O4/c1-35(2)25-13-7-11-23(15-25)18-32-19-29(37)27(17-22-9-5-4-6-10-22)33-30(38)28-21-36(31(39)34-28)20-24-12-8-14-26(16-24)40-3/h4-16,27-29,32,37H,17-21H2,1-3H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM50377848 (CHEMBL265953) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3F)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)24-10-6-9-21(13-24)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-23(31)15-25(22)32/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377846 (CHEMBL410865) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1 Show InChI InChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377857 (CHEMBL260173) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C31H39N5O4/c1-35(2)25-13-9-12-24(18-25)20-32-21-29(37)27(19-23-10-5-3-6-11-23)33-30(38)28-22-36(31(39)34-28)16-17-40-26-14-7-4-8-15-26/h3-15,18,27-29,32,37H,16-17,19-22H2,1-2H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377837 (CHEMBL411124) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C30H37N5O3/c1-34(2)25-15-9-14-24(16-25)18-31-19-28(36)26(17-22-10-5-3-6-11-22)32-29(37)27-21-35(30(38)33-27)20-23-12-7-4-8-13-23/h3-16,26-28,31,36H,17-21H2,1-2H3,(H,32,37)(H,33,38)/t26-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	612	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377851 (CHEMBL405204) Show SMILES COc1cc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)cc(OC)c1 Show InChI InChI=1S/C32H41N5O5/c1-36(2)25-12-8-11-23(13-25)18-33-19-30(38)28(16-22-9-6-5-7-10-22)34-31(39)29-21-37(32(40)35-29)20-24-14-26(41-3)17-27(15-24)42-4/h5-15,17,28-30,33,38H,16,18-21H2,1-4H3,(H,34,39)(H,35,40)/t28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	662	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377838 (CHEMBL408948) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(Cc3ccccc3)C(=O)N2)c1 |w:26.27| Show InChI InChI=1S/C31H38N4O3/c1-35(2)26-15-9-14-24(17-26)20-32-21-29(36)27(18-23-12-7-4-8-13-23)33-31(38)28-19-25(30(37)34-28)16-22-10-5-3-6-11-22/h3-15,17,25,27-29,32,36H,16,18-21H2,1-2H3,(H,33,38)(H,34,37)/t25?,27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377850 (CHEMBL260635) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1 Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-10-6-9-23(15-25)17-32-18-28(37)26(16-21-7-4-3-5-8-21)33-29(38)27-20-36(30(39)34-27)19-22-11-13-24(31)14-12-22/h3-15,26-28,32,37H,16-20H2,1-2H3,(H,33,38)(H,34,39)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	818	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377848 (CHEMBL265953) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3F)C(=O)N2)c1 Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)24-10-6-9-21(13-24)16-33-17-28(38)26(14-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-23(31)15-25(22)32/h3-13,15,26-28,33,38H,14,16-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	867	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377843 (CHEMBL259547) Show SMILES O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C29H31F3N4O3/c30-29(31,32)23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377854 (CHEMBL442807) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2cc(Br)cc(Br)c2)c1 Show InChI InChI=1S/C29H33Br2N5O3/c1-35(2)23-10-6-9-20(11-23)16-32-17-27(37)25(12-19-7-4-3-5-8-19)33-28(38)26-18-36(29(39)34-26)24-14-21(30)13-22(31)15-24/h3-11,13-15,25-27,32,37H,12,16-18H2,1-2H3,(H,33,38)(H,34,39)/t25-,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377843 (CHEMBL259547) Show SMILES O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C29H31F3N4O3/c30-29(31,32)23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377853 (CHEMBL410666) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2ccccc2)c1 Show InChI InChI=1S/C29H35N5O3/c1-33(2)24-15-9-12-22(16-24)18-30-19-27(35)25(17-21-10-5-3-6-11-21)31-28(36)26-20-34(29(37)32-26)23-13-7-4-8-14-23/h3-16,25-27,30,35H,17-20H2,1-2H3,(H,31,36)(H,32,37)/t25-,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377842 (CHEMBL259083) Show SMILES O[C@H](CNCc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C29H31F3N4O4/c30-29(31,32)40-23-13-7-12-22(14-23)16-33-17-26(37)24(15-20-8-3-1-4-9-20)34-27(38)25-19-36(28(39)35-25)18-21-10-5-2-6-11-21/h1-14,24-26,33,37H,15-19H2,(H,34,38)(H,35,39)/t24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377839 (CHEMBL263405) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 Show InChI InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377839 (CHEMBL263405) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 Show InChI InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377838 (CHEMBL408948) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(Cc3ccccc3)C(=O)N2)c1 |w:26.27| Show InChI InChI=1S/C31H38N4O3/c1-35(2)26-15-9-14-24(17-26)20-32-21-29(36)27(18-23-12-7-4-8-13-23)33-31(38)28-19-25(30(37)34-28)16-22-10-5-3-6-11-22/h3-15,17,25,27-29,32,36H,16,18-21H2,1-2H3,(H,33,38)(H,34,37)/t25?,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377854 (CHEMBL442807) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2cc(Br)cc(Br)c2)c1 Show InChI InChI=1S/C29H33Br2N5O3/c1-35(2)23-10-6-9-20(11-23)16-32-17-27(37)25(12-19-7-4-3-5-8-19)33-28(38)26-18-36(29(39)34-26)24-14-21(30)13-22(31)15-24/h3-11,13-15,25-27,32,37H,12,16-18H2,1-2H3,(H,33,38)(H,34,39)/t25-,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377857 (CHEMBL260173) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C31H39N5O4/c1-35(2)25-13-9-12-24(18-25)20-32-21-29(37)27(19-23-10-5-3-6-11-23)33-30(38)28-22-36(31(39)34-28)16-17-40-26-14-7-4-8-15-26/h3-15,18,27-29,32,37H,16-17,19-22H2,1-2H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377844 (CHEMBL258462) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(cc3)C(F)(F)F)C(=O)N2)c1 Show InChI InChI=1S/C31H36F3N5O3/c1-38(2)25-10-6-9-23(15-25)17-35-18-28(40)26(16-21-7-4-3-5-8-21)36-29(41)27-20-39(30(42)37-27)19-22-11-13-24(14-12-22)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377855 (CHEMBL406317) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1 |r| Show InChI InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377856 (CHEMBL441728) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CN(Cc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C31H39N5O3/c1-31(22-36(30(39)34-31)21-24-13-8-5-9-14-24)29(38)33-27(18-23-11-6-4-7-12-23)28(37)20-32-19-25-15-10-16-26(17-25)35(2)3/h4-17,27-28,32,37H,18-22H2,1-3H3,(H,33,38)(H,34,39)/t27-,28+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377858 (CHEMBL411237) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCc3ccccc3)C(=O)N2)c1 Show InChI InChI=1S/C31H39N5O3/c1-35(2)26-15-9-14-25(18-26)20-32-21-29(37)27(19-24-12-7-4-8-13-24)33-30(38)28-22-36(31(39)34-28)17-16-23-10-5-3-6-11-23/h3-15,18,27-29,32,37H,16-17,19-22H2,1-2H3,(H,33,38)(H,34,39)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377853 (CHEMBL410666) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2ccccc2)c1 Show InChI InChI=1S/C29H35N5O3/c1-33(2)24-15-9-12-22(16-24)18-30-19-27(35)25(17-21-10-5-3-6-11-21)31-28(36)26-20-34(29(37)32-26)23-13-7-4-8-14-23/h3-16,25-27,30,35H,17-20H2,1-2H3,(H,31,36)(H,32,37)/t25-,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377861 (CHEMBL409665) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CNC(=O)N2)c1 Show InChI InChI=1S/C23H31N5O3/c1-28(2)18-10-6-9-17(11-18)13-24-15-21(29)19(12-16-7-4-3-5-8-16)26-22(30)20-14-25-23(31)27-20/h3-11,19-21,24,29H,12-15H2,1-2H3,(H,26,30)(H2,25,27,31)/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377862 (CHEMBL260174) Show SMILES CCCCN1C[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)N(C)C Show InChI InChI=1S/C27H39N5O3/c1-4-5-14-32-19-24(30-27(32)35)26(34)29-23(16-20-10-7-6-8-11-20)25(33)18-28-17-21-12-9-13-22(15-21)31(2)3/h6-13,15,23-25,28,33H,4-5,14,16-19H2,1-3H3,(H,29,34)(H,30,35)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair

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