Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 50030739   

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))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300733 ((8R)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trif...) Show SMILES NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4| Show InChI InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300711 (8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoro...) Show SMILES NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300732 ((8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...) Show SMILES NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4| Show InChI InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300719 ((8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trif...) Show SMILES NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4| Show InChI InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300720 (8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-methoxyphe...) Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:10,17| Show InChI InChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300713 (9-(3-(2-fluoropyridin-3-yl)phenyl)-9-(4-(trifluoro...) Show SMILES NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C25H21F4N5O/c26-21-20(7-4-13-31-21)16-5-3-6-18(15-16)24(17-8-10-19(11-9-17)35-25(27,28)29)22-32-12-1-2-14-34(22)23(30)33-24/h3-11,13,15H,1-2,12,14H2,(H2,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300714 (7-(3-(2-fluoropyridin-3-yl)phenyl)-7-(4-(trifluoro...) Show SMILES NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-30-11-12-32(20)21(28)31-22)15-6-8-17(9-7-15)33-23(25,26)27/h1-10,13H,11-12H2,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300715 (8-(3,4-diethoxyphenyl)-8-(3-(2-fluoropyridin-3-yl)...) Show SMILES CCOc1ccc(cc1OCC)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:14,21| Show InChI InChI=1S/C27H28FN5O2/c1-3-34-22-12-11-20(17-23(22)35-4-2)27(25-31-14-7-15-33(25)26(29)32-27)19-9-5-8-18(16-19)21-10-6-13-30-24(21)28/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H2,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300725 (8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethox...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |t:1,4| Show InChI InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300721 (8-(4-methoxyphenyl)-8-(3-(pyrimidin-5-yl)phenyl)-2...) Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 |t:10,17| Show InChI InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16755 (Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300712 (10-(3-(2-fluoropyridin-3-yl)phenyl)-10-(4-(trifluo...) Show SMILES NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C26H23F4N5O/c27-22-21(8-5-14-32-22)17-6-4-7-19(16-17)25(18-9-11-20(12-10-18)36-26(28,29)30)23-33-13-2-1-3-15-35(23)24(31)34-25/h4-12,14,16H,1-3,13,15H2,(H2,31,34)/b33-23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300718 (8-(benzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H20FN5O2/c25-21-18(6-2-9-27-21)15-4-1-5-16(12-15)24(17-7-8-19-20(13-17)32-14-31-19)22-28-10-3-11-30(22)23(26)29-24/h1-2,4-9,12-13H,3,10-11,14H2,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300724 (7-(3-(2-fluoropyridin-3-yl)phenyl)-2,2-dimethyl-7-...) Show SMILES CC1(C)CN2C(N)=NC(C2=N1)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:6,10| Show InChI InChI=1S/C25H21F4N5O/c1-23(2)14-34-21(32-23)24(33-22(34)30,16-8-10-18(11-9-16)35-25(27,28)29)17-6-3-5-15(13-17)19-7-4-12-31-20(19)26/h3-13H,14H2,1-2H3,(H2,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300717 (8-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-(3-(2-fl...) Show SMILES NC1=NC(C2=NCCCN12)(c1cccc(c1)-c1cccnc1F)c1ccc2OCCOc2c1 |t:1,4| Show InChI InChI=1S/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300722 (8-(3-(2-cyclopropylethyl)phenyl)-8-(4-(trifluorome...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 |t:1,4| Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300719 ((8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trif...) Show SMILES NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4| Show InChI InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300716 (8-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-8-(3-(2-f...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc2OC(F)(F)Oc2c1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H18F3N5O2/c25-20-17(6-2-9-29-20)14-4-1-5-15(12-14)23(21-30-10-3-11-32(21)22(28)31-23)16-7-8-18-19(13-16)34-24(26,27)33-18/h1-2,4-9,12-13H,3,10-11H2,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300730 ((8S)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...) Show SMILES NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4| Show InChI InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300708 (8-(3-propylphenyl)-8-(4-(trifluoromethoxy)phenyl)-...) Show SMILES CCCc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccc(OC(F)(F)F)cc1 |t:11,18| Show InChI InChI=1S/C22H23F3N4O/c1-2-5-15-6-3-7-17(14-15)21(19-27-12-4-13-29(19)20(26)28-21)16-8-10-18(11-9-16)30-22(23,24)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300711 (8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoro...) Show SMILES NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50300711 (8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoro...) Show SMILES NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300711 (8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoro...) Show SMILES NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300709 (8-(3-bromophenyl)-8-(4-(trifluoromethoxy)phenyl)-2...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 |t:1,4| Show InChI InChI=1S/C19H16BrF3N4O/c20-14-4-1-3-13(11-14)18(16-25-9-2-10-27(16)17(24)26-18)12-5-7-15(8-6-12)28-19(21,22)23/h1,3-8,11H,2,9-10H2,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300733 ((8R)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trif...) Show SMILES NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4| Show InChI InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300722 (8-(3-(2-cyclopropylethyl)phenyl)-8-(4-(trifluorome...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 |t:1,4| Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300718 (8-(benzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H20FN5O2/c25-21-18(6-2-9-27-21)15-4-1-5-16(12-15)24(17-7-8-19-20(13-17)32-14-31-19)22-28-10-3-11-30(22)23(26)29-24/h1-2,4-9,12-13H,3,10-11,14H2,(H2,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300727 (8-(3-benzylphenyl)-8-phenyl-2,3,4,8-tetrahydroimid...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccccc2)c1 |t:1,4| Show InChI InChI=1S/C25H24N4/c26-24-28-25(21-12-5-2-6-13-21,23-27-15-8-16-29(23)24)22-14-7-11-20(18-22)17-19-9-3-1-4-10-19/h1-7,9-14,18H,8,15-17H2,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300720 (8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-methoxyphe...) Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:10,17| Show InChI InChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300733 ((8R)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trif...) Show SMILES NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4| Show InChI InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300726 (8-(3-(4-fluorobenzyl)phenyl)-8-phenyl-2,3,4,8-tetr...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 |t:1,4| Show InChI InChI=1S/C25H23FN4/c26-22-12-10-18(11-13-22)16-19-6-4-9-21(17-19)25(20-7-2-1-3-8-20)23-28-14-5-15-30(23)24(27)29-25/h1-4,6-13,17H,5,14-16H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300728 (8-(3-(4-methoxybenzyl)phenyl)-8-phenyl-2,3,4,8-tet...) Show SMILES COc1ccc(Cc2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccccc2)cc1 |t:15,22| Show InChI InChI=1S/C26H26N4O/c1-31-23-13-11-19(12-14-23)17-20-7-5-10-22(18-20)26(21-8-3-2-4-9-21)24-28-15-6-16-30(24)25(27)29-26/h2-5,7-14,18H,6,15-17H2,1H3,(H2,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300713 (9-(3-(2-fluoropyridin-3-yl)phenyl)-9-(4-(trifluoro...) Show SMILES NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C25H21F4N5O/c26-21-20(7-4-13-31-21)16-5-3-6-18(15-16)24(17-8-10-19(11-9-17)35-25(27,28)29)22-32-12-1-2-14-34(22)23(30)33-24/h3-11,13,15H,1-2,12,14H2,(H2,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300726 (8-(3-(4-fluorobenzyl)phenyl)-8-phenyl-2,3,4,8-tetr...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 |t:1,4| Show InChI InChI=1S/C25H23FN4/c26-22-12-10-18(11-13-22)16-19-6-4-9-21(17-19)25(20-7-2-1-3-8-20)23-28-14-5-15-30(23)24(27)29-25/h1-4,6-13,17H,5,14-16H2,(H2,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300726 (8-(3-(4-fluorobenzyl)phenyl)-8-phenyl-2,3,4,8-tetr...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 |t:1,4| Show InChI InChI=1S/C25H23FN4/c26-22-12-10-18(11-13-22)16-19-6-4-9-21(17-19)25(20-7-2-1-3-8-20)23-28-14-5-15-30(23)24(27)29-25/h1-4,6-13,17H,5,14-16H2,(H2,27,29)	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	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300717 (8-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-(3-(2-fl...) Show SMILES NC1=NC(C2=NCCCN12)(c1cccc(c1)-c1cccnc1F)c1ccc2OCCOc2c1 |t:1,4| Show InChI InChI=1S/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300715 (8-(3,4-diethoxyphenyl)-8-(3-(2-fluoropyridin-3-yl)...) Show SMILES CCOc1ccc(cc1OCC)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:14,21| Show InChI InChI=1S/C27H28FN5O2/c1-3-34-22-12-11-20(17-23(22)35-4-2)27(25-31-14-7-15-33(25)26(29)32-27)19-9-5-8-18(16-19)21-10-6-13-30-24(21)28/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300717 (8-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-(3-(2-fl...) Show SMILES NC1=NC(C2=NCCCN12)(c1cccc(c1)-c1cccnc1F)c1ccc2OCCOc2c1 |t:1,4| Show InChI InChI=1S/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300732 ((8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...) Show SMILES NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4| Show InChI InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300714 (7-(3-(2-fluoropyridin-3-yl)phenyl)-7-(4-(trifluoro...) Show SMILES NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-30-11-12-32(20)21(28)31-22)15-6-8-17(9-7-15)33-23(25,26)27/h1-10,13H,11-12H2,(H2,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300713 (9-(3-(2-fluoropyridin-3-yl)phenyl)-9-(4-(trifluoro...) Show SMILES NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C25H21F4N5O/c26-21-20(7-4-13-31-21)16-5-3-6-18(15-16)24(17-8-10-19(11-9-17)35-25(27,28)29)22-32-12-1-2-14-34(22)23(30)33-24/h3-11,13,15H,1-2,12,14H2,(H2,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300712 (10-(3-(2-fluoropyridin-3-yl)phenyl)-10-(4-(trifluo...) Show SMILES NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C26H23F4N5O/c27-22-21(8-5-14-32-22)17-6-4-7-19(16-17)25(18-9-11-20(12-10-18)36-26(28,29)30)23-33-13-2-1-3-15-35(23)24(31)34-25/h4-12,14,16H,1-3,13,15H2,(H2,31,34)/b33-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300727 (8-(3-benzylphenyl)-8-phenyl-2,3,4,8-tetrahydroimid...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccccc2)c1 |t:1,4| Show InChI InChI=1S/C25H24N4/c26-24-28-25(21-12-5-2-6-13-21,23-27-15-8-16-29(23)24)22-14-7-11-20(18-22)17-19-9-3-1-4-10-19/h1-7,9-14,18H,8,15-17H2,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300712 (10-(3-(2-fluoropyridin-3-yl)phenyl)-10-(4-(trifluo...) Show SMILES NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C26H23F4N5O/c27-22-21(8-5-14-32-22)17-6-4-7-19(16-17)25(18-9-11-20(12-10-18)36-26(28,29)30)23-33-13-2-1-3-15-35(23)24(31)34-25/h4-12,14,16H,1-3,13,15H2,(H2,31,34)/b33-23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300719 ((8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trif...) Show SMILES NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4| Show InChI InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300714 (7-(3-(2-fluoropyridin-3-yl)phenyl)-7-(4-(trifluoro...) Show SMILES NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C23H17F4N5O/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-30-11-12-32(20)21(28)31-22)15-6-8-17(9-7-15)33-23(25,26)27/h1-10,13H,11-12H2,(H2,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300718 (8-(benzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H20FN5O2/c25-21-18(6-2-9-27-21)15-4-1-5-16(12-15)24(17-7-8-19-20(13-17)32-14-31-19)22-28-10-3-11-30(22)23(26)29-24/h1-2,4-9,12-13H,3,10-11,14H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50300721 (8-(4-methoxyphenyl)-8-(3-(pyrimidin-5-yl)phenyl)-2...) Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 |t:10,17| Show InChI InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28)	PDB UniProtKB/SwissProt 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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50300722 (8-(3-(2-cyclopropylethyl)phenyl)-8-(4-(trifluorome...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 |t:1,4| Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET				J Med Chem 52: 6314-23 (2009) Article DOI: 10.1021/jm9006752 BindingDB Entry DOI: 10.7270/Q2Z89CHR
					More data for this Ligand-Target Pair

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