Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50046748   

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))	BDBM50129296 (CHEMBL3628128) Show SMILES [H][C@@]12CCCN1c1ccc(OCCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:31| Show InChI InChI=1S/C27H34Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h7-10,14-15,23,31H,1-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129294 (CHEMBL3628125) Show SMILES [H][C@@]12CCCN1c1ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,30| Show InChI InChI=1S/C26H30Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h1,3,6-9,13-14,22,30H,2,4-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/b3-1+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129297 (CHEMBL3628127) Show SMILES [H][C@@]12CCCN1c1ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,31| Show InChI InChI=1S/C27H32Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h2,4,7-10,14-15,23,31H,1,3,5-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/b4-2+/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129295 (CHEMBL3628126) Show SMILES [H][C@@]12CCCN1c1ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:30| Show InChI InChI=1S/C26H32Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h6-9,13-14,22,30H,1-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129297 (CHEMBL3628127) Show SMILES [H][C@@]12CCCN1c1ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,31| Show InChI InChI=1S/C27H32Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h2,4,7-10,14-15,23,31H,1,3,5-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/b4-2+/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129290 (CHEMBL3627973) Show SMILES CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129295 (CHEMBL3628126) Show SMILES [H][C@@]12CCCN1c1ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:30| Show InChI InChI=1S/C26H32Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h6-9,13-14,22,30H,1-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129292 (CHEMBL3628122) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c1-12(30)27-19-17(23)7-13(8-18(19)24)10-26-22(25)28-21(31)20-16-9-14(16)11-29(20)15-5-3-2-4-6-15/h2-8,14,16,20H,9-11H2,1H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129288 (CHEMBL3627969) Show SMILES COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-22(25)28-21(31)19-4-3-9-29(19)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129294 (CHEMBL3628125) Show SMILES [H][C@@]12CCCN1c1ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,30| Show InChI InChI=1S/C26H30Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h1,3,6-9,13-14,22,30H,2,4-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/b3-1+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129287 (CHEMBL3627968) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129374 (CHEMBL3628123) Show SMILES COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 |r| Show InChI InChI=1S/C24H30Cl2N6O3/c1-31(2)14-21(33)29-22-18(25)11-15(12-19(22)26)13-28-24(27)30-23(34)20-5-4-10-32(20)16-6-8-17(35-3)9-7-16/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3,(H,29,33)(H3,27,28,30,34)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129285 (CHEMBL3627966) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl |r| Show InChI InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129298 (CHEMBL3627958) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129293 (CHEMBL3628124) Show SMILES [H][C@@]12CCCN1c1ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,29| Show InChI InChI=1S/C25H28Cl2N6O3/c26-19-12-16-13-20(27)23(19)31-22(34)15-29-9-1-2-11-36-18-7-5-17(6-8-18)33-10-3-4-21(33)24(35)32-25(28)30-14-16/h1-2,5-8,12-13,21,29H,3-4,9-11,14-15H2,(H,31,34)(H3,28,30,32,35)/b2-1+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129291 (CHEMBL3628121) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2CCCCN2c2ccccc2)cc1Cl Show InChI InChI=1S/C22H25Cl2N5O2/c1-14(30)27-20-17(23)11-15(12-18(20)24)13-26-22(25)28-21(31)19-9-5-6-10-29(19)16-7-3-2-4-8-16/h2-4,7-8,11-12,19H,5-6,9-10,13H2,1H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129289 (CHEMBL3627970) Show SMILES COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)9-14(10-18(20)24)12-26-22(25)28-21(31)19-7-4-8-29(19)15-5-3-6-16(11-15)32-2/h3,5-6,9-11,19H,4,7-8,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129288 (CHEMBL3627969) Show SMILES COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-22(25)28-21(31)19-4-3-9-29(19)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129298 (CHEMBL3627958) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129292 (CHEMBL3628122) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c1-12(30)27-19-17(23)7-13(8-18(19)24)10-26-22(25)28-21(31)20-16-9-14(16)11-29(20)15-5-3-2-4-6-15/h2-8,14,16,20H,9-11H2,1H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129285 (CHEMBL3627966) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl |r| Show InChI InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129290 (CHEMBL3627973) Show SMILES CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129291 (CHEMBL3628121) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2CCCCN2c2ccccc2)cc1Cl Show InChI InChI=1S/C22H25Cl2N5O2/c1-14(30)27-20-17(23)11-15(12-18(20)24)13-26-22(25)28-21(31)19-9-5-6-10-29(19)16-7-3-2-4-8-16/h2-4,7-8,11-12,19H,5-6,9-10,13H2,1H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129376 (CHEMBL3627977) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl |r| Show InChI InChI=1S/C28H29Cl2N5O3/c1-18(36)33-26-23(29)12-20(13-24(26)30)15-32-28(31)34-27(37)25-14-22(38-17-19-8-4-2-5-9-19)16-35(25)21-10-6-3-7-11-21/h2-13,22,25H,14-17H2,1H3,(H,33,36)(H3,31,32,34,37)/t22-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129286 (CHEMBL3627967) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O2/c1-12(30)27-19-16(22)9-13(10-17(19)23)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(24)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129373 (CHEMBL3627956) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl Show InChI InChI=1S/C20H18Cl2N6O2/c1-12(29)26-18-15(21)9-13(10-16(18)22)11-24-20(23)27-19(30)17-7-8-25-28(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,29)(H3,23,24,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129379 (CHEMBL3627974) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C27H27Cl2N5O2/c1-17(35)32-25-22(28)12-18(13-23(25)29)15-31-27(30)33-26(36)24-14-20(19-8-4-2-5-9-19)16-34(24)21-10-6-3-7-11-21/h2-13,20,24H,14-16H2,1H3,(H,32,35)(H3,30,31,33,36)/t20-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129375 (CHEMBL3628120) Show SMILES [H][C@]12CC[C@]([H])(C1)N(C2C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H25Cl2N5O2/c1-13(31)28-20-18(24)9-14(10-19(20)25)12-27-23(26)29-22(32)21-15-7-8-17(11-15)30(21)16-5-3-2-4-6-16/h2-6,9-10,15,17,21H,7-8,11-12H2,1H3,(H,28,31)(H3,26,27,29,32)/t15-,17+,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129287 (CHEMBL3627968) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129380 (CHEMBL3627972) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](O)CN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(29)26-19-16(22)7-13(8-17(19)23)10-25-21(24)27-20(31)18-9-15(30)11-28(18)14-5-3-2-4-6-14/h2-8,15,18,30H,9-11H2,1H3,(H,26,29)(H3,24,25,27,31)/t15-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129289 (CHEMBL3627970) Show SMILES COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)9-14(10-18(20)24)12-26-22(25)28-21(31)19-7-4-8-29(19)15-5-3-6-16(11-15)32-2/h3,5-6,9-11,19H,4,7-8,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129372 (CHEMBL3627957) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,26,29)(H3,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129381 (CHEMBL3627971) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(29)26-19-16(22)7-13(8-17(19)23)10-25-21(24)27-20(31)18-9-15(30)11-28(18)14-5-3-2-4-6-14/h2-8,15,18,30H,9-11H2,1H3,(H,26,29)(H3,24,25,27,31)/t15-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129281 (CHEMBL3627961) Show SMILES C[C@H](NC(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C19H21Cl2N5O2/c1-11(14-6-4-3-5-7-14)24-19(28)26-18(22)23-10-13-8-15(20)17(16(21)9-13)25-12(2)27/h3-9,11H,10H2,1-2H3,(H,25,27)(H4,22,23,24,26,28)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129284 (CHEMBL3627965) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl |r| Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-5-7-16(8-6-13)29-9-3-4-19(29)21(31)28-22(25)26-12-15-10-17(23)20(18(24)11-15)27-14(2)30/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129293 (CHEMBL3628124) Show SMILES [H][C@@]12CCCN1c1ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,29| Show InChI InChI=1S/C25H28Cl2N6O3/c26-19-12-16-13-20(27)23(19)31-22(34)15-29-9-1-2-11-36-18-7-5-17(6-8-18)33-10-3-4-21(33)24(35)32-25(28)30-14-16/h1-2,5-8,12-13,21,29H,3-4,9-11,14-15H2,(H,31,34)(H3,28,30,32,35)/b2-1+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129377 (CHEMBL3627976) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl |r| Show InChI InChI=1S/C28H29Cl2N5O3/c1-18(36)33-26-23(29)12-20(13-24(26)30)15-32-28(31)34-27(37)25-14-22(38-17-19-8-4-2-5-9-19)16-35(25)21-10-6-3-7-11-21/h2-13,22,25H,14-17H2,1H3,(H,33,36)(H3,31,32,34,37)/t22-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129378 (CHEMBL3627975) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)Oc2ccccc2)cc1Cl |r| Show InChI InChI=1S/C27H27Cl2N5O3/c1-17(35)32-25-22(28)12-18(13-23(25)29)15-31-27(30)33-26(36)24-14-21(37-20-10-6-3-7-11-20)16-34(24)19-8-4-2-5-9-19/h2-13,21,24H,14-16H2,1H3,(H,32,35)(H3,30,31,33,36)/t21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129382 (CHEMBL3627962) Show SMILES COc1ccc(cc1)C1CCCN1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)10-14(11-18(20)24)12-26-21(25)28-22(31)29-9-3-4-19(29)15-5-7-16(32-2)8-6-15/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129281 (CHEMBL3627961) Show SMILES C[C@H](NC(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C19H21Cl2N5O2/c1-11(14-6-4-3-5-7-14)24-19(28)26-18(22)23-10-13-8-15(20)17(16(21)9-13)25-12(2)27/h3-9,11H,10H2,1-2H3,(H,25,27)(H4,22,23,24,26,28)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129279 (CHEMBL3627959) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@H]2CCCN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129279 (CHEMBL3627959) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@H]2CCCN2c2ccccc2)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,26,29)(H3,24,25,27,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129284 (CHEMBL3627965) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl |r| Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-5-7-16(8-6-13)29-9-3-4-19(29)21(31)28-22(25)26-12-15-10-17(23)20(18(24)11-15)27-14(2)30/h5-8,10-11,19H,3-4,9,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129372 (CHEMBL3627957) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,26,29)(H3,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129280 (CHEMBL3627960) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl Show InChI InChI=1S/C18H18Cl2N4O3/c1-11(25)23-16-14(19)7-13(8-15(16)20)9-22-17(21)24-18(26)27-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,23,25)(H3,21,22,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129286 (CHEMBL3627967) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O2/c1-12(30)27-19-16(22)9-13(10-17(19)23)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(24)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129283 (CHEMBL3627964) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCCc3ccccc23)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O2/c1-12(29)26-19-16(22)9-13(10-17(19)23)11-25-20(24)28-21(30)27-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-10,18H,4,6,8,11H2,1H3,(H,26,29)(H4,24,25,27,28,30)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129282 (CHEMBL3627963) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCc3ccccc23)cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11(28)25-18-15(21)8-12(9-16(18)22)10-24-19(23)27-20(29)26-17-7-6-13-4-2-3-5-14(13)17/h2-5,8-9,17H,6-7,10H2,1H3,(H,25,28)(H4,23,24,26,27,29)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129373 (CHEMBL3627956) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl Show InChI InChI=1S/C20H18Cl2N6O2/c1-12(29)26-18-15(21)9-13(10-16(18)22)11-24-20(23)27-19(30)17-7-8-25-28(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,29)(H3,23,24,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129283 (CHEMBL3627964) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCCc3ccccc23)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N5O2/c1-12(29)26-19-16(22)9-13(10-17(19)23)11-25-20(24)28-21(30)27-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-10,18H,4,6,8,11H2,1H3,(H,26,29)(H4,24,25,27,28,30)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair

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