Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'herbette' and Initial = 'g'   

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))	BDBM16735 (N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1...) Show SMILES O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16733 (4-[1-(5-Amino)-pentyl]-1-{4-(phenyl)-2-[(naphthale...) Show SMILES NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16734 (N-(2-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1...) Show SMILES O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16736 (N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naph...) Show SMILES O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16727 (N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phe...) Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H24BrN3O2/c24-18-8-9-22(27-12-10-26(11-13-27)14-15-28)21(16-18)25-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,28H,10-15H2,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16731 (Naphthyl Compound, 5b | ethyl 2-{4-[2-(naphthalene...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C31H31N3O3/c1-2-37-30(35)22-33-17-19-34(20-18-33)29-16-15-25(23-9-4-3-5-10-23)21-28(29)32-31(36)27-14-8-12-24-11-6-7-13-26(24)27/h3-16,21H,2,17-20,22H2,1H3,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16732 (1-{4-(Phenyl)-2-[(naphthalene-1-carbonyl)-amino]-p...) Show SMILES O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C40H38N4O3/c45-38(33-19-11-15-30-14-5-6-16-32(30)33)41-36-28-31(29-12-3-1-4-13-29)20-21-37(36)43-26-24-42(25-27-43)22-9-2-10-23-44-39(46)34-17-7-8-18-35(34)40(44)47/h1,3-8,11-21,28H,2,9-10,22-27H2,(H,41,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16730 (N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylph...) Show SMILES OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34)	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	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16749 (Coumarin Compound, 11c | N-[2-(4-benzylpiperazin-1...) Show SMILES O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C33H29N3O3/c37-32(28-21-27-13-7-8-14-31(27)39-33(28)38)34-29-22-26(25-11-5-2-6-12-25)15-16-30(29)36-19-17-35(18-20-36)23-24-9-3-1-4-10-24/h1-16,21-22H,17-20,23H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16729 (N-[5-phenyl-2-(piperazin-1-yl)phenyl]naphthalene-1...) Show SMILES O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16750 (2,2,2-trifluoroacetic acid; 2-oxo-N-[5-phenyl-2-(p...) Show SMILES O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C26H23N3O3/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29/h1-11,16-17,27H,12-15H2,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16742 (Coumarin Compound, 9e | N-{5-bromo-2-[4-(2-hydroxy...) Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C22H22BrN3O4/c23-16-5-6-19(26-9-7-25(8-10-26)11-12-27)18(14-16)24-21(28)17-13-15-3-1-2-4-20(15)30-22(17)29/h1-6,13-14,27H,7-12H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16741 (2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazi...) Show SMILES Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C20H18BrN3O3/c21-14-5-6-17(24-9-7-22-8-10-24)16(12-14)23-19(25)15-11-13-3-1-2-4-18(13)27-20(15)26/h1-6,11-12,22H,7-10H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16740 (CHEMBL206442 | Coumarin Compound, 9c | N-[2-(4-ben...) Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C27H24BrN3O3/c28-21-10-11-24(31-14-12-30(13-15-31)18-19-6-2-1-3-7-19)23(17-21)29-26(32)22-16-20-8-4-5-9-25(20)34-27(22)33/h1-11,16-17H,12-15,18H2,(H,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	760	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16724 (CHEMBL381618 | Naphthyl Compound, 3b | tert-butyl ...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H28BrN3O3/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)23-12-11-19(27)17-22(23)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,13-16H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16747 (Coumarin Compound, 10e | N-{5-bromo-2-[4-(2-hydrox...) Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CCO)CC3)c(=O)oc12 Show InChI InChI=1S/C23H24BrN3O5/c1-31-20-4-2-3-15-13-17(23(30)32-21(15)20)22(29)25-18-14-16(24)5-6-19(18)27-9-7-26(8-10-27)11-12-28/h2-6,13-14,28H,7-12H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16739 (CHEMBL207083 | Coumarin Compound, 9b | tert-butyl ...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)20-9-8-17(26)15-19(20)27-22(30)18-14-16-6-4-5-7-21(16)33-23(18)31/h4-9,14-15H,10-13H2,1-3H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16744 (CHEMBL206854 | Coumarin Compound, 10b | tert-butyl...) Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12 Show InChI InChI=1S/C26H28BrN3O6/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)20-9-8-17(27)15-19(20)28-23(31)18-14-16-6-5-7-21(34-4)22(16)35-24(18)32/h5-9,14-15H,10-13H2,1-4H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16726 (CHEMBL203120 | N-[5-bromo-2-(piperazin-1-yl)phenyl...) Show SMILES Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1 Show InChI InChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16728 (N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]napht...) Show SMILES O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C34H31N3O/c38-34(31-17-9-15-28-14-7-8-16-30(28)31)35-32-24-29(27-12-5-2-6-13-27)18-19-33(32)37-22-20-36(21-23-37)25-26-10-3-1-4-11-26/h1-19,24H,20-23,25H2,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16737 (N-(2-{4-[5-(1,2-dithiolan-3-yl)pentanoyl]piperazin...) Show SMILES O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C35H37N3O2S2/c39-34(16-7-5-13-29-19-24-41-42-29)38-22-20-37(21-23-38)33-18-17-28(26-9-2-1-3-10-26)25-32(33)36-35(40)31-15-8-12-27-11-4-6-14-30(27)31/h1-4,6,8-12,14-15,17-18,25,29H,5,7,13,16,19-24H2,(H,36,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16725 (CHEMBL380521 | N-[2-(4-benzylpiperazin-1-yl)-5-bro...) Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1 Show InChI InChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16745 (CHEMBL381617 | Coumarin Compound, 10c | N-[2-(4-be...) Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12 Show InChI InChI=1S/C28H26BrN3O4/c1-35-25-9-5-8-20-16-22(28(34)36-26(20)25)27(33)30-23-17-21(29)10-11-24(23)32-14-12-31(13-15-32)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16746 (2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazi...) Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12 Show InChI InChI=1S/C21H20BrN3O4/c1-28-18-4-2-3-13-11-15(21(27)29-19(13)18)20(26)24-16-12-14(22)5-6-17(16)25-9-7-23-8-10-25/h2-6,11-12,23H,7-10H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16738 (Coumarin Compound, 9a | N-[5-bromo-2-(morpholin-4-...) Show SMILES Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C20H17BrN2O4/c21-14-5-6-17(23-7-9-26-10-8-23)16(12-14)22-19(24)15-11-13-3-1-2-4-18(13)27-20(15)25/h1-6,11-12H,7-10H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16748 (Coumarin Compound, 11b | tert-butyl 4-{2-[(2-oxo-2...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1NC(=O)c1cc2ccccc2oc1=O)-c1ccccc1 Show InChI InChI=1S/C31H31N3O5/c1-31(2,3)39-30(37)34-17-15-33(16-18-34)26-14-13-22(21-9-5-4-6-10-21)20-25(26)32-28(35)24-19-23-11-7-8-12-27(23)38-29(24)36/h4-14,19-20H,15-18H2,1-3H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16743 (Coumarin Compound, 10a | N-[5-bromo-2-(morpholin-4...) Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12 Show InChI InChI=1S/C21H19BrN2O5/c1-27-18-4-2-3-13-11-15(21(26)29-19(13)18)20(25)23-16-12-14(22)5-6-17(16)24-7-9-28-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16723 (N-[5-bromo-2-(morpholin-4-yl)phenyl]naphthalene-1-...) Show SMILES Brc1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1 Show InChI InChI=1S/C21H19BrN2O2/c22-16-8-9-20(24-10-12-26-13-11-24)19(14-16)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair