Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'felsenstein' and Initial = 'km'   

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))	BDBM50400214 (CHEMBL2181022) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/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	n/a	n/a	0.0783	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50400213 (CHEMBL2181024) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C52H78N8O12/c1-31(2)27-37(45(64)54-33(5)47(66)59(10)40(29-35-21-16-13-17-22-35)48(67)60-26-18-23-39(60)50(69)71-11)55-43(63)30-41(61)36(28-34-19-14-12-15-20-34)56-46(65)38(24-25-42(53)62)58(9)49(68)44(32(3)4)57-51(70)72-52(6,7)8/h12-17,19-22,31-33,36-41,44,61H,18,23-30H2,1-11H3,(H2,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,70)/t33-,36-,37-,38-,39-,40+,41-,44-/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	n/a	n/a	0.126	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477923 (CHEMBL437977) Show SMILES C[C@H](CCCNS(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H24Cl2N2O5S2/c1-14(4-3-11-22-29(2,25)26)23(19-12-17(21)6-5-15(19)13-24)30(27,28)18-9-7-16(20)8-10-18/h5-10,12,14,22,24H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM29012 (N-[(4R)-4-{[5-chloro-2-(hydroxymethyl)phenyl](4-ch...) Show SMILES C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H26Cl2N2O5S2/c1-15(5-4-12-23(2)30(3,26)27)24(20-13-18(22)7-6-16(20)14-25)31(28,29)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.446	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM29013 (4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-[(...) Show SMILES C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-13-22-23-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477936 (CHEMBL252052) Show SMILES C[C@H](CCCn1nnnc1N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-21(27(2)3)24-25-26-28)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.693	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50400214 (CHEMBL2181022) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.724	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477922 (CHEMBL252051) Show SMILES C[C@H](CCCn1nnnc1C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-15(2)23-24-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50302107 (CHEMBL567893 | Grassystatin A) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477915 (CHEMBL252846) Show SMILES C[C@H](CCCn1ccnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-11-25-12-10-23-24-25)26(20-13-18(22)5-4-16(20)14-27)30(28,29)19-8-6-17(21)7-9-19/h4-10,12-13,15,27H,2-3,11,14H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50125393 (CHEMBL57014) Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C(O)(O)c1ccccc1 Show InChI InChI=1S/C13H11N5/c14-12-15-8-16-13(18-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50223758 (CHEMBL58925) Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H45N3O4/c1-5-6-17-31(4)28(35)24(19-21-13-9-7-10-14-21)30-26(33)23(18-20(2)3)29-27(34)25(32)22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-25,32H,5-7,9-10,13-14,17-19H2,1-4H3,(H,29,34)(H,30,33)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477917 (CHEMBL253295) Show SMILES C[C@H](CCCN1CCCS1(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N2O5S2/c1-16(4-2-11-24-12-3-13-31(24,27)28)25(21-14-19(23)6-5-17(21)15-26)32(29,30)20-9-7-18(22)8-10-20/h5-10,14,16,26H,2-4,11-13,15H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477945 (CHEMBL429838) Show SMILES C[C@H](CCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-23-13-22-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477932 (CHEMBL253091) Show SMILES C[C@H](CCCNC(=O)[C@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50400213 (CHEMBL2181024) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C52H78N8O12/c1-31(2)27-37(45(64)54-33(5)47(66)59(10)40(29-35-21-16-13-17-22-35)48(67)60-26-18-23-39(60)50(69)71-11)55-43(63)30-41(61)36(28-34-19-14-12-15-20-34)56-46(65)38(24-25-42(53)62)58(9)49(68)44(32(3)4)57-51(70)72-52(6,7)8/h12-17,19-22,31-33,36-41,44,61H,18,23-30H2,1-11H3,(H2,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,70)/t33-,36-,37-,38-,39-,40+,41-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 42 levels				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477939 (CHEMBL253092) Show SMILES C[C@H](CCCNC(=O)[C@@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477933 (CHEMBL253041) Show SMILES C[C@H](CCCN1CCOCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28Cl2N2O4S/c1-17(3-2-10-25-11-13-30-14-12-25)26(22-15-20(24)5-4-18(22)16-27)31(28,29)21-8-6-19(23)7-9-21/h4-9,15,17,27H,2-3,10-14,16H2,1H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476941 (CHEMBL233363) Show SMILES C[C@H](CCc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23Cl2NO3S/c1-17(7-8-18-5-3-2-4-6-18)26(23-15-21(25)10-9-19(23)16-27)30(28,29)22-13-11-20(24)12-14-22/h2-6,9-15,17,27H,7-8,16H2,1H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50132321 (CHEMBL298738) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C20H22N5O5P/c1-30-14-6-2-4-12(8-14)18-17-19(21)22-11-23-20(17)25(24-18)13-5-3-7-15(9-13)31(28,29)10-16(26)27/h2,4-5,8-9,11,14H,3,6-7,10H2,1H3,(H,26,27)(H,28,29)(H2,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477943 (CHEMBL437405) Show SMILES C[C@H](CCCn1cncn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-10-25-14-23-13-24-25)26(20-11-18(22)5-4-16(20)12-27)30(28,29)19-8-6-17(21)7-9-19/h4-9,11,13-15,27H,2-3,10,12H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50400215 (CHEMBL2181021) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C49H72N8O12/c1-28(2)24-35(45(64)51-30(5)43(62)54-36(26-33-18-13-10-14-19-33)47(66)57-23-15-20-38(57)49(68)69-8)52-41(61)27-39(59)34(25-32-16-11-9-12-17-32)53-46(65)37(21-22-40(50)60)56(7)48(67)42(29(3)4)55-44(63)31(6)58/h9-14,16-19,28-31,34-39,42,58-59H,15,20-27H2,1-8H3,(H2,50,60)(H,51,64)(H,52,61)(H,53,65)(H,54,62)(H,55,63)/t30-,31-,34-,35-,36+,37-,38-,39-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476940 (CHEMBL233362) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476940 (CHEMBL233362) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477702 (CHEMBL398975) Show SMILES Oc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H21ClN2O4S/c20-15-6-10-17(11-7-15)27(25,26)22(13-14-4-8-16(23)9-5-14)18-3-1-2-12-21-19(18)24/h4-11,18,23H,1-3,12-13H2,(H,21,24)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476939 (CHEMBL233364) Show SMILES CCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2NO3S/c1-3-4-5-14(2)22(19-12-17(21)7-6-15(19)13-23)26(24,25)18-10-8-16(20)9-11-18/h6-12,14,23H,3-5,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477929 (CHEMBL253283) Show SMILES C[C@H](CCCNC=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22Cl2N2O4S/c1-14(3-2-10-22-13-25)23(19-11-17(21)5-4-15(19)12-24)28(26,27)18-8-6-16(20)7-9-18/h4-9,11,13-14,24H,2-3,10,12H2,1H3,(H,22,25)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477925 (CHEMBL251856) Show SMILES C[C@H](CCCn1nnc(n1)N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-25-21(24-26-28)27(2)3)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50400207 (CHEMBL2181011) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C54H69N7O11S/c1-34(2)27-44(51(66)56-36(4)52(67)59(5)46(29-38-21-14-10-15-22-38)53(68)61-26-18-25-45(61)54(69)72-7)57-48(63)33-47(62)43(28-37-19-12-9-13-20-37)58-50(65)41-30-40(31-42(32-41)60(6)73(8,70)71)49(64)55-35(3)39-23-16-11-17-24-39/h9-17,19-24,30-32,34-36,43-47,62H,18,25-29,33H2,1-8H3,(H,55,64)(H,56,66)(H,57,63)(H,58,65)/t35-,36+,43+,44+,45+,46-,47+/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	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50223762 (CHEMBL417588) Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C28H43F2N3O3/c1-5-6-12-33(4)28(36)25(16-20-10-8-7-9-11-20)32-27(35)24(13-19(2)3)31-26(34)17-21-14-22(29)18-23(30)15-21/h14-15,18-20,24-25H,5-13,16-17H2,1-4H3,(H,31,34)(H,32,35)/t24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477921 (CHEMBL404294) Show SMILES C[C@H](CCCn1nnc(C)n1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-24-15(2)23-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477937 (CHEMBL253727) Show SMILES C[C@H](CCCN(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H26Cl2N2O3S/c1-15(5-4-12-23(2)3)24(20-13-18(22)7-6-16(20)14-25)28(26,27)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477940 (CHEMBL252305) Show SMILES COCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N2O5S/c1-15(4-3-11-24-21(27)14-30-2)25(20-12-18(23)6-5-16(20)13-26)31(28,29)19-9-7-17(22)8-10-19/h5-10,12,15,26H,3-4,11,13-14H2,1-2H3,(H,24,27)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476947 (CHEMBL394661) Show SMILES CC(CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20Cl2FNO3S/c1-13(3-2-10-21)22(18-11-16(20)5-4-14(18)12-23)26(24,25)17-8-6-15(19)7-9-17/h4-9,11,13,23H,2-3,10,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477942 (CHEMBL252303) Show SMILES C[C@H](CCCNC(C)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24Cl2N2O4S/c1-14(4-3-11-23-15(2)26)24(20-12-18(22)6-5-16(20)13-25)29(27,28)19-9-7-17(21)8-10-19/h5-10,12,14,25H,3-4,11,13H2,1-2H3,(H,23,26)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477912 (CHEMBL253296) Show SMILES C[C@H](CCCNS(=O)(=O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N2O5S2/c1-18(6-5-15-27-34(30,31)22-7-3-2-4-8-22)28(24-16-21(26)10-9-19(24)17-29)35(32,33)23-13-11-20(25)12-14-23/h2-4,7-14,16,18,27,29H,5-6,15,17H2,1H3/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50400211 (CHEMBL2181013) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O |r| Show InChI InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/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	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477697 (CHEMBL250200) Show SMILES CN(C)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H26ClN3O3S/c1-24(2)18-10-6-16(7-11-18)15-25(20-5-3-4-14-23-21(20)26)29(27,28)19-12-8-17(22)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 42 levels				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477927 (CHEMBL252304) Show SMILES C[C@H](CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24Cl2N2O5S/c1-14(3-2-10-23-20(27)13-26)24(19-11-17(22)5-4-15(19)12-25)30(28,29)18-8-6-16(21)7-9-18/h4-9,11,14,25-26H,2-3,10,12-13H2,1H3,(H,23,27)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477686 (CHEMBL251416) Show SMILES CCOc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H25ClN2O4S/c1-2-28-18-10-6-16(7-11-18)15-24(20-5-3-4-14-23-21(20)25)29(26,27)19-12-8-17(22)9-13-19/h6-13,20H,2-5,14-15H2,1H3,(H,23,25)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477683 (CHEMBL250820) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C20H22ClFN2O4S/c1-28-19-10-5-14(12-17(19)22)13-24(18-4-2-3-11-23-20(18)25)29(26,27)16-8-6-15(21)7-9-16/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,25)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477685 (CHEMBL401386) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H]1CCCCNC1=O Show InChI InChI=1S/C20H21ClN2O5S/c21-15-5-7-16(8-6-15)29(25,26)23(17-3-1-2-10-22-20(17)24)12-14-4-9-18-19(11-14)28-13-27-18/h4-9,11,17H,1-3,10,12-13H2,(H,22,24)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50400209 (CHEMBL2181023) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)C(C)C |r| Show InChI InChI=1S/C47H70N8O10/c1-28(2)24-34(42(59)50-30(5)44(61)54(7)37(26-32-18-13-10-14-19-32)45(62)55-23-15-20-36(55)47(64)65-8)51-40(58)27-38(56)33(25-31-16-11-9-12-17-31)52-43(60)35(21-22-39(48)57)53(6)46(63)41(49)29(3)4/h9-14,16-19,28-30,33-38,41,56H,15,20-27,49H2,1-8H3,(H2,48,57)(H,50,59)(H,51,58)(H,52,60)/t30-,33-,34-,35-,36-,37+,38-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHO 2B7 cells expressing wild type APP695 assessed as reduction in Abeta40/Abeta42 levels incubated for 16 hrs by sa...				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477697 (CHEMBL250200) Show SMILES CN(C)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H26ClN3O3S/c1-24(2)18-10-6-16(7-11-18)15-25(20-5-3-4-14-23-21(20)26)29(27,28)19-12-8-17(22)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477918 (CHEMBL403739) Show SMILES C[C@H](CCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O3S/c1-16(3-2-11-25-12-10-24-15-25)26(21-13-19(23)5-4-17(21)14-27)30(28,29)20-8-6-18(22)7-9-20/h4-10,12-13,15-16,27H,2-3,11,14H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50400208 (CHEMBL2181010) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C53H67N7O11S/c1-33(2)26-43(50(65)55-35(4)51(66)59(5)45(28-37-20-13-9-14-21-37)52(67)60-25-17-24-44(60)53(68)71-6)56-47(62)32-46(61)42(27-36-18-11-8-12-19-36)57-49(64)40-29-39(30-41(31-40)58-72(7,69)70)48(63)54-34(3)38-22-15-10-16-23-38/h8-16,18-23,29-31,33-35,42-46,58,61H,17,24-28,32H2,1-7H3,(H,54,63)(H,55,65)(H,56,62)(H,57,64)/t34-,35+,42+,43+,44+,45-,46+/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	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 299 total )  |  Next  |  Last  >>

Jump to: