Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'sund' and Initial = 'c'   

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
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	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
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
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
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
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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154683 (2-[6-(4-Nitro-benzylsulfanyl)-purin-9-ylmethyl]-ph...) Show SMILES Oc1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C19H15N5O3S/c25-16-4-2-1-3-14(16)9-23-12-22-17-18(23)20-11-21-19(17)28-10-13-5-7-15(8-6-13)24(26)27/h1-8,11-12,25H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154681 (6-(4-Nitro-benzylsulfanyl)-9-(4''-trifluoromethyl-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4ccc(cc4)C(F)(F)F)cnc23)cc1 Show InChI InChI=1S/C26H18F3N5O2S/c27-26(28,29)20-9-7-18(8-10-20)22-4-2-1-3-19(22)13-33-16-32-23-24(33)30-15-31-25(23)37-14-17-5-11-21(12-6-17)34(35)36/h1-12,15-16H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154669 (6-(4-Nitro-benzylsulfanyl)-9-(3''-trifluoromethyl-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4cccc(c4)C(F)(F)F)cnc23)cc1 Show InChI InChI=1S/C26H18F3N5O2S/c27-26(28,29)20-6-3-5-18(12-20)22-7-2-1-4-19(22)13-33-16-32-23-24(33)30-15-31-25(23)37-14-17-8-10-21(11-9-17)34(35)36/h1-12,15-16H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154688 (6-(4-Nitro-benzylsulfanyl)-9-(2-thiophen-3-yl-benz...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4ccsc4)cnc23)cc1 Show InChI InChI=1S/C23H17N5O2S2/c29-28(30)19-7-5-16(6-8-19)12-32-23-21-22(24-14-25-23)27(15-26-21)11-17-3-1-2-4-20(17)18-9-10-31-13-18/h1-10,13-15H,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154696 (9-(4''-Fluoro-biphenyl-2-ylmethyl)-6-(4-nitro-benz...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4ccc(F)cc4)cnc23)cc1 Show InChI InChI=1S/C25H18FN5O2S/c26-20-9-7-18(8-10-20)22-4-2-1-3-19(22)13-30-16-29-23-24(30)27-15-28-25(23)34-14-17-5-11-21(12-6-17)31(32)33/h1-12,15-16H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154690 (9-(4''-Methoxy-biphenyl-2-ylmethyl)-6-(4-nitro-ben...) Show SMILES COc1ccc(cc1)-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C26H21N5O3S/c1-34-22-12-8-19(9-13-22)23-5-3-2-4-20(23)14-30-17-29-24-25(30)27-16-28-26(24)35-15-18-6-10-21(11-7-18)31(32)33/h2-13,16-17H,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154672 (9-(2-Methoxy-benzyl)-6-(4-nitro-benzylsulfanyl)-9H...) Show SMILES COc1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C20H17N5O3S/c1-28-17-5-3-2-4-15(17)10-24-13-23-18-19(24)21-12-22-20(18)29-11-14-6-8-16(9-7-14)25(26)27/h2-9,12-13H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154674 (9-(2''-Fluoro-biphenyl-2-ylmethyl)-6-(4-nitro-benz...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4ccccc4F)cnc23)cc1 Show InChI InChI=1S/C25H18FN5O2S/c26-22-8-4-3-7-21(22)20-6-2-1-5-18(20)13-30-16-29-23-24(30)27-15-28-25(23)34-14-17-9-11-19(12-10-17)31(32)33/h1-12,15-16H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154668 (2-[6-(4-Nitro-benzylsulfanyl)-purin-9-ylmethyl]-ph...) Show SMILES Nc1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C19H16N6O2S/c20-16-4-2-1-3-14(16)9-24-12-23-17-18(24)21-11-22-19(17)28-10-13-5-7-15(8-6-13)25(26)27/h1-8,11-12H,9-10,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154685 (9-(2''-Methyl-biphenyl-2-ylmethyl)-6-(4-nitro-benz...) Show SMILES Cc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C26H21N5O2S/c1-18-6-2-4-8-22(18)23-9-5-3-7-20(23)14-30-17-29-24-25(30)27-16-28-26(24)34-15-19-10-12-21(13-11-19)31(32)33/h2-13,16-17H,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154687 (6-(4-Nitro-benzylsulfanyl)-9-(2-thiophen-2-yl-benz...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4cccs4)cnc23)cc1 Show InChI InChI=1S/C23H17N5O2S2/c29-28(30)18-9-7-16(8-10-18)13-32-23-21-22(24-14-25-23)27(15-26-21)12-17-4-1-2-5-19(17)20-6-3-11-31-20/h1-11,14-15H,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154677 (9-(4-Iodo-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-pu...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccc(I)cc4)cnc23)cc1 Show InChI InChI=1S/C19H14IN5O2S/c20-15-5-1-13(2-6-15)9-24-12-23-17-18(24)21-11-22-19(17)28-10-14-3-7-16(8-4-14)25(26)27/h1-8,11-12H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154676 (9-Benzyl-6-(4-nitro-benzylsulfanyl)-9H-purine | CH...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4)cnc23)cc1 Show InChI InChI=1S/C19H15N5O2S/c25-24(26)16-8-6-15(7-9-16)11-27-19-17-18(20-12-21-19)23(13-22-17)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154694 (3-[6-(4-Nitro-benzylsulfanyl)-purin-9-ylmethyl]-ph...) Show SMILES Oc1cccc(Cn2cnc3c(SCc4ccc(cc4)[N+]([O-])=O)ncnc23)c1 Show InChI InChI=1S/C19H15N5O3S/c25-16-3-1-2-14(8-16)9-23-12-22-17-18(23)20-11-21-19(17)28-10-13-4-6-15(7-5-13)24(26)27/h1-8,11-12,25H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154702 (2''-[6-(4-Nitro-benzylsulfanyl)-purin-9-ylmethyl]-...) Show SMILES Oc1ccc(cc1)-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C25H19N5O3S/c31-21-11-7-18(8-12-21)22-4-2-1-3-19(22)13-29-16-28-23-24(29)26-15-27-25(23)34-14-17-5-9-20(10-6-17)30(32)33/h1-12,15-16,31H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154666 (2''-[6-(4-Nitro-benzylsulfanyl)-purin-9-ylmethyl]-...) Show SMILES Oc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C25H19N5O3S/c31-22-8-4-3-7-21(22)20-6-2-1-5-18(20)13-29-16-28-23-24(29)26-15-27-25(23)34-14-17-9-11-19(12-10-17)30(32)33/h1-12,15-16,31H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154699 (2''-[6-(4-Nitro-benzylsulfanyl)-purin-9-ylmethyl]-...) Show SMILES Oc1cccc(c1)-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C25H19N5O3S/c31-21-6-3-5-18(12-21)22-7-2-1-4-19(22)13-29-16-28-23-24(29)26-15-27-25(23)34-14-17-8-10-20(11-9-17)30(32)33/h1-12,15-16,31H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154700 (9-(4-Nitro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-p...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccc(cc4)[N+]([O-])=O)cnc23)cc1 Show InChI InChI=1S/C19H14N6O4S/c26-24(27)15-5-1-13(2-6-15)9-23-12-22-17-18(23)20-11-21-19(17)30-10-14-3-7-16(8-4-14)25(28)29/h1-8,11-12H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154673 (9-(3-Chloro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4cccc(Cl)c4)cnc23)cc1 Show InChI InChI=1S/C19H14ClN5O2S/c20-15-3-1-2-14(8-15)9-24-12-23-17-18(24)21-11-22-19(17)28-10-13-4-6-16(7-5-13)25(26)27/h1-8,11-12H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154679 (9-(3''-Methoxy-biphenyl-2-ylmethyl)-6-(4-nitro-ben...) Show SMILES COc1cccc(c1)-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C26H21N5O3S/c1-34-22-7-4-6-19(13-22)23-8-3-2-5-20(23)14-30-17-29-24-25(30)27-16-28-26(24)35-15-18-9-11-21(12-10-18)31(32)33/h2-13,16-17H,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154691 (9-(2''-Methoxy-biphenyl-2-ylmethyl)-6-(4-nitro-ben...) Show SMILES COc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C26H21N5O3S/c1-34-23-9-5-4-8-22(23)21-7-3-2-6-19(21)14-30-17-29-24-25(30)27-16-28-26(24)35-15-18-10-12-20(13-11-18)31(32)33/h2-13,16-17H,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154665 (9-(4-Chloro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccc(Cl)cc4)cnc23)cc1 Show InChI InChI=1S/C19H14ClN5O2S/c20-15-5-1-13(2-6-15)9-24-12-23-17-18(24)21-11-22-19(17)28-10-14-3-7-16(8-4-14)25(26)27/h1-8,11-12H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154693 (9-(3-Methoxy-benzyl)-6-(4-nitro-benzylsulfanyl)-9H...) Show SMILES COc1cccc(Cn2cnc3c(SCc4ccc(cc4)[N+]([O-])=O)ncnc23)c1 Show InChI InChI=1S/C20H17N5O3S/c1-28-17-4-2-3-15(9-17)10-24-13-23-18-19(24)21-12-22-20(18)29-11-14-5-7-16(8-6-14)25(26)27/h2-9,12-13H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154680 (9-Biphenyl-2-ylmethyl-6-(4-nitro-benzylsulfanyl)-9...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4ccccc4)cnc23)cc1 Show InChI InChI=1S/C25H19N5O2S/c31-30(32)21-12-10-18(11-13-21)15-33-25-23-24(26-16-27-25)29(17-28-23)14-20-8-4-5-9-22(20)19-6-2-1-3-7-19/h1-13,16-17H,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154675 (9-(3-Fluoro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4cccc(F)c4)cnc23)cc1 Show InChI InChI=1S/C19H14FN5O2S/c20-15-3-1-2-14(8-15)9-24-12-23-17-18(24)21-11-22-19(17)28-10-13-4-6-16(7-5-13)25(26)27/h1-8,11-12H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154678 (CHEMBL188630 | {2-[6-(4-Nitro-benzylsulfanyl)-puri...) Show SMILES CC(C)(C)OC(=O)Nc1ccccc1Cn1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C24H24N6O4S/c1-24(2,3)34-23(31)28-19-7-5-4-6-17(19)12-29-15-27-20-21(29)25-14-26-22(20)35-13-16-8-10-18(11-9-16)30(32)33/h4-11,14-15H,12-13H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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))	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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154684 (6-(4-Nitro-benzylsulfanyl)-9-(3-phenyl-propyl)-9H-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(CCCc4ccccc4)cnc23)cc1 Show InChI InChI=1S/C21H19N5O2S/c27-26(28)18-10-8-17(9-11-18)13-29-21-19-20(22-14-23-21)25(15-24-19)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,14-15H,4,7,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154670 (9-(4-Methoxy-benzyl)-6-(4-nitro-benzylsulfanyl)-9H...) Show SMILES COc1ccc(Cn2cnc3c(SCc4ccc(cc4)[N+]([O-])=O)ncnc23)cc1 Show InChI InChI=1S/C20H17N5O3S/c1-28-17-8-4-14(5-9-17)10-24-13-23-18-19(24)21-12-22-20(18)29-11-15-2-6-16(7-3-15)25(26)27/h2-9,12-13H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	563	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154697 (9-(3,4-Difluoro-benzyl)-6-(4-nitro-benzylsulfanyl)...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccc(F)c(F)c4)cnc23)cc1 Show InChI InChI=1S/C19H13F2N5O2S/c20-15-6-3-13(7-16(15)21)8-25-11-24-17-18(25)22-10-23-19(17)29-9-12-1-4-14(5-2-12)26(27)28/h1-7,10-11H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154667 (9-(4-Methyl-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-...) Show SMILES Cc1ccc(Cn2cnc3c(SCc4ccc(cc4)[N+]([O-])=O)ncnc23)cc1 Show InChI InChI=1S/C20H17N5O2S/c1-14-2-4-15(5-3-14)10-24-13-23-18-19(24)21-12-22-20(18)28-11-16-6-8-17(9-7-16)25(26)27/h2-9,12-13H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					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

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