Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'jang' and Initial = 'jy'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320578 (CHEMBL1165545 | N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3...) Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C30H35F3N4O4S/c1-2-34-25-16-22(17-26(19-25)37-13-6-7-14-42(37,40)41)29(39)36-27(15-21-9-4-3-5-10-21)28(38)20-35-24-12-8-11-23(18-24)30(31,32)33/h3-5,8-12,16-19,27-28,34-35,38H,2,6-7,13-15,20H2,1H3,(H,36,39)/t27-,28+/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human BACE1 preincubated for 30 min measured after 30 mins				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293T cells transfected with APP695 after 20 to 24 hrs by Western blot analysis				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50144206 ((1S,2R,5S)-5-(6-Amino-purin-9-yl)-4-fluoro-3-hydro...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F |c:19| Show InChI InChI=1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50096906 (CHEMBL154745 | US10227373, Compound D-3-Deazaisone...) Show SMILES Nc1nccc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |t:13| Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006222 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13| Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50096959 (CHEMBL310547) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O |t:13| Show InChI InChI=1S/C12H15N5O3/c13-11-8-12(15-4-14-11)17(5-16-8)7-3-6(1-2-18)9(19)10(7)20/h3-5,7,9-10,18-20H,1-2H2,(H2,13,14,15)/t7-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50096962 (CHEMBL3580900) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)C(CCO)=C1F |r,c:20| Show InChI InChI=1S/C12H14FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-4,8-10,19-21H,1-2H2,(H2,14,15,16)/t8-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50216689 (2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...) Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50096961 (CHEMBL80375) Show SMILES Nc1nccc2n(cnc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O |t:13| Show InChI InChI=1S/C13H16N4O3/c14-13-10-8(1-3-15-13)17(6-16-10)9-5-7(2-4-18)11(19)12(9)20/h1,3,5-6,9,11-12,18-20H,2,4H2,(H2,14,15)/t9-,11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267646 (CHEMBL4102380) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267646 (CHEMBL4102380) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320583 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CCCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:21,t:16| Show InChI InChI=1S/C33H44N4O6S/c1-5-12-27-30(32(39)35-28(19-24-13-8-6-9-14-24)29(38)20-34-26-17-18-26)22(2)37(44(4,41)42)23(3)31(27)33(40)36-43-21-25-15-10-7-11-16-25/h6-11,13-16,26-29,34,38H,5,12,17-21H2,1-4H3,(H,35,39)(H,36,40)/t27?,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320588 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:9,33| Show InChI InChI=1S/C35H46N4O6/c1-22(2)45-31(41)20-39-24(4)32(23(3)33(25(39)5)35(43)38-44-21-27-14-10-7-11-15-27)34(42)37-29(18-26-12-8-6-9-13-26)30(40)19-36-28-16-17-28/h6-15,22-23,28-30,36,40H,16-21H2,1-5H3,(H,37,42)(H,38,43)/t23?,29-,30+/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	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320582 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:20,t:15| Show InChI InChI=1S/C32H42N4O6S/c1-5-26-29(31(38)34-27(18-23-12-8-6-9-13-23)28(37)19-33-25-16-17-25)21(2)36(43(4,40)41)22(3)30(26)32(39)35-42-20-24-14-10-7-11-15-24/h6-15,25-28,33,37H,5,16-20H2,1-4H3,(H,34,38)(H,35,39)/t26?,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320584 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC(C)C1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:21,t:16| Show InChI InChI=1S/C33H44N4O6S/c1-21(2)29-30(32(39)35-27(18-24-12-8-6-9-13-24)28(38)19-34-26-16-17-26)22(3)37(44(5,41)42)23(4)31(29)33(40)36-43-20-25-14-10-7-11-15-25/h6-15,21,26-29,34,38H,16-20H2,1-5H3,(H,35,39)(H,36,40)/t27-,28+,29?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320581 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:19,t:14| Show InChI InChI=1S/C31H40N4O6S/c1-20-28(30(37)33-26(17-23-11-7-5-8-12-23)27(36)18-32-25-15-16-25)21(2)35(42(4,39)40)22(3)29(20)31(38)34-41-19-24-13-9-6-10-14-24/h5-14,20,25-27,32,36H,15-19H2,1-4H3,(H,33,37)(H,34,38)/t20?,26-,27+/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	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320586 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES COC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:7,31| Show InChI InChI=1S/C33H42N4O6/c1-21-30(32(40)35-27(17-24-11-7-5-8-12-24)28(38)18-34-26-15-16-26)22(2)37(19-29(39)42-4)23(3)31(21)33(41)36-43-20-25-13-9-6-10-14-25/h5-14,21,26-28,34,38H,15-20H2,1-4H3,(H,35,40)(H,36,41)/t21?,27-,28+/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	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320587 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CCOC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:8,32| Show InChI InChI=1S/C34H44N4O6/c1-5-43-30(40)20-38-23(3)31(22(2)32(24(38)4)34(42)37-44-21-26-14-10-7-11-15-26)33(41)36-28(18-25-12-8-6-9-13-25)29(39)19-35-27-16-17-27/h6-15,22,27-29,35,39H,5,16-21H2,1-4H3,(H,36,41)(H,37,42)/t22?,28-,29+/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	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320579 (CHEMBL1163398 | N3-((2S,3R)-4-(cyclopropylamino)-3...) Show SMILES C[C@@H](NC(=O)C1=C(C)N(C(C)=C(C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O)c1ccccc1 |r,c:5,10| Show InChI InChI=1S/C32H42N4O5S/c1-20-29(31(38)34-21(2)25-14-10-7-11-15-25)22(3)36(42(5,40)41)23(4)30(20)32(39)35-27(18-24-12-8-6-9-13-24)28(37)19-33-26-16-17-26/h6-15,20-21,26-28,33,37H,16-19H2,1-5H3,(H,34,38)(H,35,39)/t20?,21-,27+,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320599 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC(C)OC(=O)CN1C=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:8,23| Show InChI InChI=1S/C34H43N3O6/c1-22(2)43-31(39)20-37-19-28(23(3)32(24(37)4)34(41)42-21-26-13-9-6-10-14-26)33(40)36-29(17-25-11-7-5-8-12-25)30(38)18-35-27-15-16-27/h5-14,19,22-23,27,29-30,35,38H,15-18,20-21H2,1-4H3,(H,36,40)/t23?,29-,30+/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	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320580 (CHEMBL1165369 | N3-((2S,3R)-4-(cyclopropylamino)-3...) Show SMILES CCC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(C(C)=C1C(=O)NC(C)c1ccccc1)S(C)(=O)=O |r,c:28,t:23| Show InChI InChI=1S/C33H44N4O5S/c1-6-27-30(32(39)35-21(2)25-15-11-8-12-16-25)22(3)37(43(5,41)42)23(4)31(27)33(40)36-28(19-24-13-9-7-10-14-24)29(38)20-34-26-17-18-26/h7-16,21,26-29,34,38H,6,17-20H2,1-5H3,(H,35,39)(H,36,40)/t21?,27?,28-,29+/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	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267628 (CHEMBL4074207) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C23H28ClN3O4/c1-22(2,3)31-21(29)26-16-9-10-19-17(12-16)18(13-23(4,5)30-19)27-20(28)25-15-8-6-7-14(24)11-15/h6-12,18H,13H2,1-5H3,(H,26,29)(H2,25,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320585 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC1=C(C(C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N1S(C)(=O)=O)c1ccccc1)C(=O)NOCc1ccccc1 |r,t:1,24| Show InChI InChI=1S/C36H42N4O6S/c1-24-32(35(42)38-30(21-26-13-7-4-8-14-26)31(41)22-37-29-19-20-29)34(28-17-11-6-12-18-28)33(25(2)40(24)47(3,44)45)36(43)39-46-23-27-15-9-5-10-16-27/h4-18,29-31,34,37,41H,19-23H2,1-3H3,(H,38,42)(H,39,43)/t30-,31+,34?/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	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267662 (CHEMBL4059756) Show SMILES CC(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C23H26N4O4/c1-14(2)30-22(29)26-17-8-9-20-18(11-17)19(12-23(3,4)31-20)27-21(28)25-16-7-5-6-15(10-16)13-24/h5-11,14,19H,12H2,1-4H3,(H,26,29)(H2,25,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320594 (CHEMBL1165489 | Isopropyl 2-(3-acetyl-5-((2S,3R)-3...) Show SMILES CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r,c:19,t:7| Show InChI InChI=1S/C36H49N3O6/c1-8-13-30-34(26(6)40)24(4)39(22-33(42)45-23(2)3)25(5)35(30)36(43)38-31(19-27-14-10-9-11-15-27)32(41)21-37-20-28-16-12-17-29(18-28)44-7/h9-12,14-18,23,30-32,37,41H,8,13,19-22H2,1-7H3,(H,38,43)/t30?,31-,32+/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	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320573 (CHEMBL1165107 | Tert-butyl 5-((2S,3R)-4-(cycloprop...) Show SMILES CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:4,14| Show InChI InChI=1S/C32H47N3O6/c1-7-11-24-25(18-35(20-29(37)40-21(2)3)19-26(24)31(39)41-32(4,5)6)30(38)34-27(16-22-12-9-8-10-13-22)28(36)17-33-23-14-15-23/h8-10,12-13,18-19,21,23-24,27-28,33,36H,7,11,14-17,20H2,1-6H3,(H,34,38)/t24?,27-,28+/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	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320571 (CHEMBL1163421 | Isopropyl 2-(3-acetyl-5-((2S,3R)-3...) Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2=CN(CC(=O)OC(C)C)C(C)=C(C2C)C(C)=O)c1 |r,c:35,t:24| Show InChI InChI=1S/C33H43N3O6/c1-21(2)42-31(39)20-36-19-28(22(3)32(23(36)4)24(5)37)33(40)35-29(16-25-11-8-7-9-12-25)30(38)18-34-17-26-13-10-14-27(15-26)41-6/h7-15,19,21-22,29-30,34,38H,16-18,20H2,1-6H3,(H,35,40)/t22?,29-,30+/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	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320590 (CHEMBL1163932 | Isopropyl 2-(3-acetyl-5-((2S,3R)-4...) Show SMILES CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNc2cccc(F)c2)=C1C)C(C)=O |r,c:9,37| Show InChI InChI=1S/C32H40FN3O5/c1-19(2)41-29(39)18-36-21(4)30(23(6)37)20(3)31(22(36)5)32(40)35-27(15-24-11-8-7-9-12-24)28(38)17-34-26-14-10-13-25(33)16-26/h7-14,16,19-20,27-28,34,38H,15,17-18H2,1-6H3,(H,35,40)/t20?,27-,28+/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	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320593 (CHEMBL1163422 | Isopropyl 2-(3-acetyl-5-((2S,3R)-3...) Show SMILES CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 |r,c:19,t:7| Show InChI InChI=1S/C35H47N3O6/c1-8-13-29-33(25(6)39)23(4)38(21-32(41)44-22(2)3)24(5)34(29)35(42)37-30(18-26-14-10-9-11-15-26)31(40)20-36-27-16-12-17-28(19-27)43-7/h9-12,14-17,19,22,29-31,36,40H,8,13,18,20-21H2,1-7H3,(H,37,42)/t29?,30-,31+/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	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320595 (Benzyl 1-(3-acetoxypropyl)-5-((2S,3R)-4-(cycloprop...) Show SMILES CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CCCOC(C)=O)C(C)=C1C(=O)OCc1ccccc1 |r,c:34,t:22| Show InChI InChI=1S/C35H45N3O6/c1-23-32(34(41)37-30(20-27-12-7-5-8-13-27)31(40)21-36-29-16-17-29)24(2)38(18-11-19-43-26(4)39)25(3)33(23)35(42)44-22-28-14-9-6-10-15-28/h5-10,12-15,23,29-31,36,40H,11,16-22H2,1-4H3,(H,37,41)/t23?,30-,31+/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	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320592 (CHEMBL1163420 | Isopropyl 2-(3-acetyl-5-((2S,3R)-4...) Show SMILES CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 |r,c:19,t:7| Show InChI InChI=1S/C34H44FN3O5/c1-7-12-28-32(24(6)39)22(4)38(20-31(41)43-21(2)3)23(5)33(28)34(42)37-29(17-25-13-9-8-10-14-25)30(40)19-36-27-16-11-15-26(35)18-27/h8-11,13-16,18,21,28-30,36,40H,7,12,17,19-20H2,1-6H3,(H,37,42)/t28?,29-,30+/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	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320598 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC(C)N(C)C(=O)CN1C(C)=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:10,25| Show InChI InChI=1S/C36H48N4O5/c1-23(2)39(6)32(42)21-40-25(4)33(24(3)34(26(40)5)36(44)45-22-28-15-11-8-12-16-28)35(43)38-30(19-27-13-9-7-10-14-27)31(41)20-37-29-17-18-29/h7-16,23-24,29-31,37,41H,17-22H2,1-6H3,(H,38,43)/t24?,30-,31+/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	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320597 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N2CCOCC2)C(C)=C1C(=O)OCc1ccccc1 |r,c:37,t:22| Show InChI InChI=1S/C36H46N4O6/c1-24-33(35(43)38-30(20-27-10-6-4-7-11-27)31(41)21-37-29-14-15-29)25(2)40(22-32(42)39-16-18-45-19-17-39)26(3)34(24)36(44)46-23-28-12-8-5-9-13-28/h4-13,24,29-31,37,41H,14-23H2,1-3H3,(H,38,43)/t24?,30-,31+/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	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320589 (CHEMBL1164493 | Isopropyl 2-(3-acetyl-5-((2S,3R)-4...) Show SMILES CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(C)=O |r,c:9,33| Show InChI InChI=1S/C29H41N3O5/c1-17(2)37-26(35)16-32-19(4)27(21(6)33)18(3)28(20(32)5)29(36)31-24(14-22-10-8-7-9-11-22)25(34)15-30-23-12-13-23/h7-11,17-18,23-25,30,34H,12-16H2,1-6H3,(H,31,36)/t18?,24-,25+/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	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320570 (CHEMBL1165534 | Isopropyl 2-(3-acetyl-5-((2S,3R)-4...) Show SMILES CC(C)OC(=O)CN1C=C(C(C)C(C(C)=O)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 |r,c:8,15| Show InChI InChI=1S/C31H38FN3O5/c1-19(2)40-29(38)18-35-17-26(20(3)30(21(35)4)22(5)36)31(39)34-27(14-23-10-7-6-8-11-23)28(37)16-33-25-13-9-12-24(32)15-25/h6-13,15,17,19-20,27-28,33,37H,14,16,18H2,1-5H3,(H,34,39)/t20?,27-,28+/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	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320576 (CHEMBL1163427 | Isopropyl 2-(3-((2S,3R)-4-(cyclopr...) Show SMILES CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 |r,c:4,14| Show InChI InChI=1S/C36H48N4O5/c1-5-12-29-30(35(43)38-25(4)27-15-10-7-11-16-27)21-40(23-34(42)45-24(2)3)22-31(29)36(44)39-32(19-26-13-8-6-9-14-26)33(41)20-37-28-17-18-28/h6-11,13-16,21-22,24-25,28-29,32-33,37,41H,5,12,17-20,23H2,1-4H3,(H,38,43)(H,39,44)/t25?,29?,32-,33+/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	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320574 (CHEMBL1163426 | Tert-butyl 5-((2S,3R)-3-hydroxy-4-...) Show SMILES CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 |r,c:4,14| Show InChI InChI=1S/C36H49N3O7/c1-8-13-28-29(21-39(23-33(41)45-24(2)3)22-30(28)35(43)46-36(4,5)6)34(42)38-31(18-25-14-10-9-11-15-25)32(40)20-37-26-16-12-17-27(19-26)44-7/h9-12,14-17,19,21-22,24,28,31-32,37,40H,8,13,18,20,23H2,1-7H3,(H,38,42)/t28?,31-,32+/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	3.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320577 (CHEMBL1163433 | Isopropyl 2-(3-((2S,3R)-3-hydroxy-...) Show SMILES CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1)C(=O)NC(C)c1ccccc1 |r,c:4,14| Show InChI InChI=1S/C40H50N4O6/c1-6-14-33-34(39(47)42-28(4)30-17-11-8-12-18-30)24-44(26-38(46)50-27(2)3)25-35(33)40(48)43-36(21-29-15-9-7-10-16-29)37(45)23-41-31-19-13-20-32(22-31)49-5/h7-13,15-20,22,24-25,27-28,33,36-37,41,45H,6,14,21,23,26H2,1-5H3,(H,42,47)(H,43,48)/t28?,33?,36-,37+/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	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320572 (CHEMBL1164568 | tert-butyl 5-((2S,3R)-4-(cycloprop...) Show SMILES CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:8,12| Show InChI InChI=1S/C30H43N3O6/c1-19(2)38-27(35)18-33-16-23(20(3)24(17-33)29(37)39-30(4,5)6)28(36)32-25(14-21-10-8-7-9-11-21)26(34)15-31-22-12-13-22/h7-11,16-17,19-20,22,25-26,31,34H,12-15,18H2,1-6H3,(H,32,36)/t20?,25-,26+/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	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267628 (CHEMBL4074207) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C23H28ClN3O4/c1-22(2,3)31-21(29)26-16-9-10-19-17(12-16)18(13-23(4,5)30-19)27-20(28)25-15-8-6-7-14(24)11-15/h6-12,18H,13H2,1-5H3,(H,26,29)(H2,25,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320575 (CHEMBL1165517 | Isopropyl 2-(3-((2S,3R)-4-(cyclopr...) Show SMILES CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 |r,c:8,12| Show InChI InChI=1S/C34H44N4O5/c1-22(2)43-32(40)21-38-19-28(33(41)36-24(4)26-13-9-6-10-14-26)23(3)29(20-38)34(42)37-30(17-25-11-7-5-8-12-25)31(39)18-35-27-15-16-27/h5-14,19-20,22-24,27,30-31,35,39H,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t23?,24?,30-,31+/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	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320591 (CHEMBL1163933 | Isopropyl 2-(3-acetyl-5-((2S,3R)-4...) Show SMILES CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:19,t:7| Show InChI InChI=1S/C31H45N3O5/c1-7-11-25-29(22(6)35)20(4)34(18-28(37)39-19(2)3)21(5)30(25)31(38)33-26(16-23-12-9-8-10-13-23)27(36)17-32-24-14-15-24/h8-10,12-13,19,24-27,32,36H,7,11,14-18H2,1-6H3,(H,33,38)/t25?,26-,27+/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	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320596 (Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1...) Show SMILES CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N(C)C)C(C)=C1C(=O)OCc1ccccc1 |r,c:33,t:22| Show InChI InChI=1S/C34H44N4O5/c1-22-31(33(41)36-28(18-25-12-8-6-9-13-25)29(39)19-35-27-16-17-27)23(2)38(20-30(40)37(4)5)24(3)32(22)34(42)43-21-26-14-10-7-11-15-26/h6-15,22,27-29,35,39H,16-21H2,1-5H3,(H,36,41)/t22?,28-,29+/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	3.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site o...				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50156760 ((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...) Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair

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