Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'borkakoti' and Initial = 'n'   

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
Cathepsin D (Homo sapiens (Human))	BDBM50333945 ((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...) Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H55N5O8S2/c1-28(2)37(43(54)49-45(59-29(3)4)44(55)46-25-30-14-9-7-10-15-30)24-39(51)38-27-58-26-31-16-13-19-33(20-31)40(32-17-11-8-12-18-32)48-42(53)35-21-34(41(52)47-38)22-36(23-35)50(5)60(6,56)57/h7-23,28-29,37-40,45,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40?,45-/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	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307380 (CHEMBL589771 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H53F2N5O9S/c1-27(2)40(44(56)47-24-29-13-9-7-10-14-29)50-43(55)39(59-5)23-38(52)37(25-60-36-21-33(45)20-34(46)22-36)49-42(54)32-17-31(18-35(19-32)51(4)26-61(6,57)58)41(53)48-28(3)30-15-11-8-12-16-30/h7-22,27-28,37-40,52H,23-26H2,1-6H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t28-,37+,38+,39-,40+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333945 ((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...) Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H55N5O8S2/c1-28(2)37(43(54)49-45(59-29(3)4)44(55)46-25-30-14-9-7-10-15-30)24-39(51)38-27-58-26-31-16-13-19-33(20-31)40(32-17-11-8-12-18-32)48-42(53)35-21-34(41(52)47-38)22-36(23-35)50(5)60(6,56)57/h7-23,28-29,37-40,45,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40?,45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50333943 (CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...) Show SMILES CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C46H59N5O8S/c1-30(2)39(45(55)50-42(31(3)4)46(56)47-27-33-17-11-8-12-18-33)26-41(52)40(29-59-28-34-19-13-9-14-20-34)49-44(54)37-23-36(24-38(25-37)51(6)60(7,57)58)43(53)48-32(5)35-21-15-10-16-22-35/h8-25,30-32,39-42,52H,26-29H2,1-7H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t32-,39+,40+,41+,42+/m1/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333945 ((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...) Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H55N5O8S2/c1-28(2)37(43(54)49-45(59-29(3)4)44(55)46-25-30-14-9-7-10-15-30)24-39(51)38-27-58-26-31-16-13-19-33(20-31)40(32-17-11-8-12-18-32)48-42(53)35-21-34(41(52)47-38)22-36(23-35)50(5)60(6,56)57/h7-23,28-29,37-40,45,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40?,45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human plasma renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307379 (CHEMBL603119 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H55N5O9S/c1-29(2)40(44(54)45-26-31-16-10-7-11-17-31)48-43(53)39(57-5)25-38(50)37(27-58-36-20-14-9-15-21-36)47-42(52)34-22-33(23-35(24-34)49(4)28-59(6,55)56)41(51)46-30(3)32-18-12-8-13-19-32/h7-24,29-30,37-40,50H,25-28H2,1-6H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)/t30-,37+,38+,39-,40+/m1/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
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50393892 (CHEMBL2158253) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C26H38N2O3S/c1-17(29)28-21(12-18-10-8-7-9-11-18)23(30)16-27-22-15-26(5,6)31-24-20(22)13-19(32-24)14-25(2,3)4/h7-11,13,21-23,27,30H,12,14-16H2,1-6H3,(H,28,29)/t21-,22?,23+/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	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50333944 ((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...) Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/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	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274090 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C40H57F2N5O10S/c1-22(2)33(36(51)43-20-24-10-12-25(13-11-24)38(53)55-8)46-32(49)19-31(48)30(21-56-28-17-26(41)16-27(42)18-28)45-35(50)29(14-15-58-9)44-37(52)34(23(3)4)47-39(54)57-40(5,6)7/h10-13,16-18,22-23,29-31,33-34,48H,14-15,19-21H2,1-9H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,54)/t29-,30-,31-,33-,34-/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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333943 (CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...) Show SMILES CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C46H59N5O8S/c1-30(2)39(45(55)50-42(31(3)4)46(56)47-27-33-17-11-8-12-18-33)26-41(52)40(29-59-28-34-19-13-9-14-20-34)49-44(54)37-23-36(24-38(25-37)51(6)60(7,57)58)43(53)48-32(5)35-21-15-10-16-22-35/h8-25,30-32,39-42,52H,26-29H2,1-7H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t32-,39+,40+,41+,42+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274091 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C39H55F2N5O10S/c1-21(2)32(35(50)42-19-23-9-11-24(12-10-23)37(52)53)45-31(48)18-30(47)29(20-55-27-16-25(40)15-26(41)17-27)44-34(49)28(13-14-57-8)43-36(51)33(22(3)4)46-38(54)56-39(5,6)7/h9-12,15-17,21-22,28-30,32-33,47H,13-14,18-20H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)(H,45,48)(H,46,54)(H,52,53)/t28-,29-,30-,32-,33-/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	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333946 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50393886 (CHEMBL2158259) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/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	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50393888 (CHEMBL2158256) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nn(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)15-27-22-13-26(5,6)14-23-20(22)16-30(29-23)17-25(2,3)4/h7-11,16,21-22,24,27,32H,12-15,17H2,1-6H3,(H,28,31)/t21-,22?,24+/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	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333946 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human plasma renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307385 (CHEMBL589644 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H56BrN5O9S/c1-29(2)41(45(56)47-25-31-13-9-7-10-14-31)50-44(55)40(59-5)24-39(52)38(27-60-26-32-17-19-36(46)20-18-32)49-43(54)35-21-34(22-37(23-35)51(4)28-61(6,57)58)42(53)48-30(3)33-15-11-8-12-16-33/h7-23,29-30,38-41,52H,24-28H2,1-6H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t30-,38+,39+,40-,41+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307381 (CHEMBL603118 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H54BrN5O9S/c1-28(2)40(44(55)46-25-30-13-9-7-10-14-30)49-43(54)39(58-5)24-38(51)37(26-59-36-19-17-34(45)18-20-36)48-42(53)33-21-32(22-35(23-33)50(4)27-60(6,56)57)41(52)47-29(3)31-15-11-8-12-16-31/h7-23,28-29,37-40,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t29-,37+,38+,39-,40+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307384 (CHEMBL602914 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H55F2N5O9S/c1-28(2)41(45(57)48-24-30-13-9-7-10-14-30)51-44(56)40(60-5)23-39(53)38(26-61-25-31-17-35(46)22-36(47)18-31)50-43(55)34-19-33(20-37(21-34)52(4)27-62(6,58)59)42(54)49-29(3)32-15-11-8-12-16-32/h7-22,28-29,38-41,53H,23-27H2,1-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333944 ((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...) Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307374 (CHEMBL589487 | N-[(1S,2S,4R)-1-(3,5-difluorophenox...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C38H41F3N4O8S/c1-23(24-8-6-5-7-9-24)42-36(47)25-14-26(16-31(15-25)45(2)22-54(4,50)51)37(48)44-33(21-53-32-18-28(40)17-29(41)19-32)34(46)20-35(52-3)38(49)43-30-12-10-27(39)11-13-30/h5-19,23,33-35,46H,20-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,48)/t23-,33+,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50393889 (CHEMBL2158252) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H40N2O3/c1-19(31)30-23(15-20-10-8-7-9-11-20)25(32)18-29-24-17-28(5,6)33-26-13-12-21(14-22(24)26)16-27(2,3)4/h7-14,23-25,29,32H,15-18H2,1-6H3,(H,30,31)/t23-,24-,25+/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	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333948 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COc1ccc(cc1)C1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C38H50N4O8S/c1-23(2)20-39-38(46)32(24(3)4)19-34(43)33-22-50-21-25-9-8-10-27(15-25)35(26-11-13-31(49-6)14-12-26)41-37(45)29-16-28(36(44)40-33)17-30(18-29)42(5)51(7,47)48/h8-18,23-24,32-35,43H,19-22H2,1-7H3,(H,39,46)(H,40,44)(H,41,45)/t32-,33-,34-,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274096 (4-[((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(met...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H51N5O10S/c1-27(2)39(42(53)44-24-29-16-18-32(19-17-29)43(54)55)47-38(50)23-37(49)36(26-58-25-30-12-8-6-9-13-30)46-41(52)34-20-33(21-35(22-34)48(4)59(5,56)57)40(51)45-28(3)31-14-10-7-11-15-31/h6-22,27-28,36-37,39,49H,23-26H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)(H,54,55)/t28-,36+,37+,39+/m1/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	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307375 (CHEMBL589377 | N-[(1S,2S,4R)-1-(3,5-difluorophenox...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C38H42F2N4O8S/c1-24(25-11-7-5-8-12-25)41-36(46)26-15-27(17-31(16-26)44(2)23-53(4,49)50)37(47)43-33(22-52-32-19-28(39)18-29(40)20-32)34(45)21-35(51-3)38(48)42-30-13-9-6-10-14-30/h5-20,24,33-35,45H,21-23H2,1-4H3,(H,41,46)(H,42,48)(H,43,47)/t24-,33+,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50333946 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34?/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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307382 (CHEMBL605967 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H39F2N3O6/c1-4-11-35(12-5-2)30(39)20-8-6-7-19(13-20)28(37)34-25(18-41-24-15-21(31)14-22(32)16-24)26(36)17-27(40-3)29(38)33-23-9-10-23/h6-8,13-16,23,25-27,36H,4-5,9-12,17-18H2,1-3H3,(H,33,38)(H,34,37)/t25-,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50393887 (CHEMBL2158257) Show SMILES CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22-,24+/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	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM19254 (IMP | Inosine | Inosinic acid | US11185100, TABLE ...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against Inosine-5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50333947 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C34H42N4O7S/c1-21(2)28(34(42)35-3)18-30(39)29-20-45-19-22-10-9-13-24(14-22)31(23-11-7-6-8-12-23)37-33(41)26-15-25(32(40)36-29)16-27(17-26)38(4)46(5,43)44/h6-17,21,28-31,39H,18-20H2,1-5H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274103 (5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H48N4O10/c1-5-15-43(16-6-2)37(48)27-14-10-13-26(17-27)35(46)41-31(23-53-22-25-11-8-7-9-12-25)32(44)21-33(45)42-34(24(3)4)36(47)40-30-19-28(38(49)50)18-29(20-30)39(51)52/h7-14,17-20,24,31-32,34,44H,5-6,15-16,21-23H2,1-4H3,(H,40,47)(H,41,46)(H,42,45)(H,49,50)(H,51,52)/t31-,32-,34-/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	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274094 (4-[((S)-2-{(3S,4S)-3-Hydroxy-4-[3-(methanesulfonyl...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C42H49N5O10S/c1-26(2)38(41(52)43-24-28-16-18-30(19-17-28)42(53)54)46-37(49)23-36(48)35(25-57-34-14-10-7-11-15-34)45-40(51)32-20-31(21-33(22-32)47(4)58(5,55)56)39(50)44-27(3)29-12-8-6-9-13-29/h6-22,26-27,35-36,38,48H,23-25H2,1-5H3,(H,43,52)(H,44,50)(H,45,51)(H,46,49)(H,53,54)/t27-,35+,36+,38+/m1/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	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307377 (CHEMBL603121 | N-[(1S,2S,4R)-1-(3,5-Difluorophenox...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCC(C)C |r| Show InChI InChI=1S/C36H46F2N4O8S/c1-22(2)19-39-36(46)33(49-5)18-32(43)31(20-50-30-16-27(37)15-28(38)17-30)41-35(45)26-12-25(13-29(14-26)42(4)21-51(6,47)48)34(44)40-23(3)24-10-8-7-9-11-24/h7-17,22-23,31-33,43H,18-21H2,1-6H3,(H,39,46)(H,40,44)(H,41,45)/t23-,31+,32+,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274095 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hy...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-22-27-11-13-30(14-12-27)43(56)57)49-38(52)21-37(51)36(24-60-23-28-15-33(44)20-34(45)16-28)48-41(54)32-17-31(18-35(19-32)50(4)61(5,58)59)40(53)47-26(3)29-9-7-6-8-10-29/h6-20,25-26,36-37,39,51H,21-24H2,1-5H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)(H,56,57)/t26-,36+,37+,39+/m1/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	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274100 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H47F2N5O12S/c1-23(2)38(41(55)47-33-15-29(42(56)57)14-30(16-33)43(58)59)49-37(52)20-36(51)35(22-62-21-25-11-31(44)19-32(45)12-25)48-40(54)28-13-27(17-34(18-28)50(4)63(5,60)61)39(53)46-24(3)26-9-7-6-8-10-26/h6-19,23-24,35-36,38,51H,20-22H2,1-5H3,(H,46,53)(H,47,55)(H,48,54)(H,49,52)(H,56,57)(H,58,59)/t24-,35+,36+,38+/m1/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	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333949 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C35H52N4O8S/c1-22(2)19-36-35(43)29(23(3)4)18-32(40)31-21-47-20-24-10-8-11-25(14-24)30(12-9-13-46-6)37-33(41)26-15-27(34(42)38-31)17-28(16-26)39(5)48(7,44)45/h8,10-11,14-17,22-23,29-32,40H,9,12-13,18-21H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)/t29-,30?,31-,32-/m0/s1	PDB MMDB 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
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50307379 (CHEMBL603119 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H55N5O9S/c1-29(2)40(44(54)45-26-31-16-10-7-11-17-31)48-43(53)39(57-5)25-38(50)37(27-58-36-20-14-9-15-21-36)47-42(52)34-22-33(23-35(24-34)49(4)28-59(6,55)56)41(51)46-30(3)32-18-12-8-13-19-32/h7-24,29-30,37-40,50H,25-28H2,1-6H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)/t30-,37+,38+,39-,40+/m1/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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50333949 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C35H52N4O8S/c1-22(2)19-36-35(43)29(23(3)4)18-32(40)31-21-47-20-24-10-8-11-25(14-24)30(12-9-13-46-6)37-33(41)26-15-27(34(42)38-31)17-28(16-26)39(5)48(7,44)45/h8,10-11,14-17,22-23,29-32,40H,9,12-13,18-21H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)/t29-,30?,31-,32-/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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274093 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C42H47F2N5O10S/c1-24(2)38(41(54)45-22-26-11-13-28(14-12-26)42(55)56)48-37(51)21-36(50)35(23-59-34-19-31(43)18-32(44)20-34)47-40(53)30-15-29(16-33(17-30)49(4)60(5,57)58)39(52)46-25(3)27-9-7-6-8-10-27/h6-20,24-25,35-36,38,50H,21-23H2,1-5H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)(H,55,56)/t25-,35+,36+,38+/m1/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	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274108 (CHEMBL445085 | N-[(1S,2S)-3-((S)-1-Benzylcarbamoyl...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H47F2N5O8S/c1-25(2)38(41(53)44-23-27-12-8-6-9-13-27)47-37(50)22-36(49)35(24-56-34-20-31(42)19-32(43)21-34)46-40(52)30-16-29(17-33(18-30)48(4)57(5,54)55)39(51)45-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,53)(H,45,51)(H,46,52)(H,47,50)/t26-,35+,36+,38+/m1/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	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274101 (5-((S)-2-{(3S,4S)-5-Benzyloxy-3-hydroxy-4-[3-(meth...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H49N5O12S/c1-25(2)38(41(53)45-33-18-31(42(54)55)17-32(19-33)43(56)57)47-37(50)22-36(49)35(24-60-23-27-12-8-6-9-13-27)46-40(52)30-16-29(20-34(21-30)48(4)61(5,58)59)39(51)44-26(3)28-14-10-7-11-15-28/h6-21,25-26,35-36,38,49H,22-24H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)(H,56,57)/t26-,35+,36+,38+/m1/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	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274092 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-23-27-12-14-29(15-13-27)43(56)59-5)49-38(52)22-37(51)36(24-60-35-20-32(44)19-33(45)21-35)48-41(54)31-16-30(17-34(18-31)50(4)61(6,57)58)40(53)47-26(3)28-10-8-7-9-11-28/h7-21,25-26,36-37,39,51H,22-24H2,1-6H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)/t26-,36+,37+,39+/m1/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	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50393890 (CHEMBL2158255) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nc(CC(C)(C)C)[nH]c12 |r| Show InChI InChI=1S/C26H40N4O2/c1-17(31)28-19(12-18-10-8-7-9-11-18)22(32)16-27-20-13-26(5,6)14-21-24(20)30-23(29-21)15-25(2,3)4/h7-11,19-20,22,27,32H,12-16H2,1-6H3,(H,28,31)(H,29,30)/t19-,20?,22+/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	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50333948 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COc1ccc(cc1)C1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C38H50N4O8S/c1-23(2)20-39-38(46)32(24(3)4)19-34(43)33-22-50-21-25-9-8-10-27(15-25)35(26-11-13-31(49-6)14-12-26)41-37(45)29-16-28(36(44)40-33)17-30(18-29)42(5)51(7,47)48/h8-18,23-24,32-35,43H,19-22H2,1-7H3,(H,39,46)(H,40,44)(H,41,45)/t32-,33-,34-,35?/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	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274099 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50307381 (CHEMBL603118 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H54BrN5O9S/c1-28(2)40(44(55)46-25-30-13-9-7-10-14-30)49-43(54)39(58-5)24-38(51)37(26-59-36-19-17-34(45)18-20-36)48-42(53)33-21-32(22-35(23-33)50(4)27-60(6,56)57)41(52)47-29(3)31-15-11-8-12-16-31/h7-23,28-29,37-40,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t29-,37+,38+,39-,40+/m1/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	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274102 (5-{(S)-2-[(3S,4S)-5-(3,5-Difluoro-benzyloxy)-4-(3-...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H46F2N4O10/c1-5-10-45(11-6-2)37(50)25-9-7-8-24(14-25)35(48)43-31(21-55-20-23-12-28(40)18-29(41)13-23)32(46)19-33(47)44-34(22(3)4)36(49)42-30-16-26(38(51)52)15-27(17-30)39(53)54/h7-9,12-18,22,31-32,34,46H,5-6,10-11,19-21H2,1-4H3,(H,42,49)(H,43,48)(H,44,47)(H,51,52)(H,53,54)/t31-,32-,34-/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	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50333951 ((S)-2-{(S)-2-Hydroxy-2-[(S)-19-(methanesulfonyl-me...) Show SMILES COCCOC1CCCc2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C36H55N3O8S/c1-24(2)21-37-36(42)31(25(3)4)20-33(40)32-23-46-22-27-11-8-12-28(17-27)34(47-15-14-45-6)13-9-10-26-16-29(35(41)38-32)19-30(18-26)39(5)48(7,43)44/h8,11-12,16-19,24-25,31-34,40H,9-10,13-15,20-23H2,1-7H3,(H,37,42)(H,38,41)/t31-,32-,33-,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50307380 (CHEMBL589771 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H53F2N5O9S/c1-27(2)40(44(56)47-24-29-13-9-7-10-14-29)50-43(55)39(59-5)23-38(52)37(25-60-36-21-33(45)20-34(46)22-36)49-42(54)32-17-31(18-35(19-32)51(4)26-61(6,57)58)41(53)48-28(3)30-15-11-8-12-16-30/h7-22,27-28,37-40,52H,23-26H2,1-6H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t28-,37+,38+,39-,40+/m1/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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50307376 (CHEMBL589772 | N-[(1S,2S,4R)-4-Benzylcarbamoyl-1-(...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C39H44F2N4O8S/c1-25(27-13-9-6-10-14-27)43-37(47)28-15-29(17-32(16-28)45(2)24-54(4,50)51)38(48)44-34(23-53-33-19-30(40)18-31(41)20-33)35(46)21-36(52-3)39(49)42-22-26-11-7-5-8-12-26/h5-20,25,34-36,46H,21-24H2,1-4H3,(H,42,49)(H,43,47)(H,44,48)/t25-,34+,35+,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274109 (4-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C41H45F2N5O10S/c1-23(2)37(40(53)45-31-13-11-26(12-14-31)41(54)55)47-36(50)21-35(49)34(22-58-33-19-29(42)18-30(43)20-33)46-39(52)28-15-27(16-32(17-28)48(4)59(5,56)57)38(51)44-24(3)25-9-7-6-8-10-25/h6-20,23-24,34-35,37,49H,21-22H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)/t24-,34+,35+,37+/m1/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair

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