Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'hsu' and Initial = 'mh'   

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))	BDBM160666 (US9045498, 8) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F |t:1| Show InChI InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259962 (CHEMBL4088234) Show SMILES C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,t:5| Show InChI InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0240	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259964 (CHEMBL4083698) Show SMILES CC(C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:20| Show InChI InChI=1S/C15H21F2N3S/c1-9(2)19-8-10-6-11(13(17)7-12(10)16)15(3)4-5-21-14(18)20-15/h6-7,9,19H,4-5,8H2,1-3H3,(H2,18,20)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259968 (CHEMBL4084653) Show SMILES COC[C@@H](C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:22| Show InChI InChI=1S/C16H23F2N3OS/c1-10(9-22-3)20-8-11-6-12(14(18)7-13(11)17)16(2)4-5-23-15(19)21-16/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,19,21)/t10-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259974 (CHEMBL4102593) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC23CC(C2)C3)c(F)cc1F |r,c:6| Show InChI InChI=1S/C17H21F2N3S/c1-16(2-3-23-15(20)22-16)12-4-11(13(18)5-14(12)19)9-21-17-6-10(7-17)8-17/h4-5,10,21H,2-3,6-9H2,1H3,(H2,20,22)/t10?,16-,17?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259966 (CHEMBL4092406) Show SMILES COCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:21| Show InChI InChI=1S/C15H21F2N3OS/c1-15(3-6-22-14(18)20-15)11-7-10(9-19-4-5-21-2)12(16)8-13(11)17/h7-8,19H,3-6,9H2,1-2H3,(H2,18,20)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259963 (CHEMBL4061944) Show SMILES CCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:19| Show InChI InChI=1S/C14H19F2N3S/c1-3-18-8-9-6-10(12(16)7-11(9)15)14(2)4-5-20-13(17)19-14/h6-7,18H,3-5,8H2,1-2H3,(H2,17,19)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259959 (CHEMBL4062728) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H19F4N3S/c1-15(4-5-24-14(21)23-15)10-6-9(11(17)7-12(10)18)8-22-16(2-3-16)13(19)20/h6-7,13,22H,2-5,8H2,1H3,(H2,21,23)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259971 (CHEMBL4064148) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC2CC2)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H21F2N3S/c1-16(4-5-22-15(19)21-16)12-6-11(13(17)7-14(12)18)9-20-8-10-2-3-10/h6-7,10,20H,2-5,8-9H2,1H3,(H2,19,21)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259961 (CHEMBL4080380) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3OS/c1-14(2-3-26-13(22)24-14)10-4-9(11(17)5-12(10)18)6-23-15(7-25-8-15)16(19,20)21/h4-5,23H,2-3,6-8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259973 (CHEMBL4098403) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259965 (CHEMBL4100140) Show SMILES CN(C)Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:19| Show InChI InChI=1S/C14H19F2N3S/c1-14(4-5-20-13(17)18-14)10-6-9(8-19(2)3)11(15)7-12(10)16/h6-7H,4-5,8H2,1-3H3,(H2,17,18)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259960 (CHEMBL4077211) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F2N4S/c1-15(4-5-23-14(20)22-15)11-6-10(12(17)7-13(11)18)8-21-16(9-19)2-3-16/h6-7,21H,2-5,8H2,1H3,(H2,20,22)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259957 (CHEMBL4085715) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2CC2)c(F)cc1F |r,c:6| Show InChI InChI=1S/C15H19F2N3S/c1-15(4-5-21-14(18)20-15)11-6-9(8-19-10-2-3-10)12(16)7-13(11)17/h6-7,10,19H,2-5,8H2,1H3,(H2,18,20)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259975 (CHEMBL4073296) Show SMILES CO[C@@H]1CCN(Cc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)C1 |r,c:22| Show InChI InChI=1S/C17H23F2N3OS/c1-17(4-6-24-16(20)21-17)13-7-11(14(18)8-15(13)19)9-22-5-3-12(10-22)23-2/h7-8,12H,3-6,9-10H2,1-2H3,(H2,20,21)/t12-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259967 (CHEMBL4064708) Show SMILES COCCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:22| Show InChI InChI=1S/C16H23F2N3OS/c1-16(4-7-23-15(19)21-16)12-8-11(13(17)9-14(12)18)10-20-5-3-6-22-2/h8-9,20H,3-7,10H2,1-2H3,(H2,19,21)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259950 (CHEMBL4066885) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C14H17F4N3S/c1-14(2-3-22-13(19)21-14)9-4-8(6-20-7-12(17)18)10(15)5-11(9)16/h4-5,12,20H,2-3,6-7H2,1H3,(H2,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259949 (CHEMBL4086633) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C14H16F5N3S/c1-13(2-3-23-12(20)22-13)9-4-8(10(15)5-11(9)16)6-21-7-14(17,18)19/h4-5,21H,2-3,6-7H2,1H3,(H2,20,22)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259970 (CHEMBL4061602) Show SMILES C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:19| Show InChI InChI=1S/C15H18F5N3S/c1-8(15(18,19)20)22-7-9-5-10(12(17)6-11(9)16)14(2)3-4-24-13(21)23-14/h5-6,8,22H,3-4,7H2,1-2H3,(H2,21,23)/t8-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259973 (CHEMBL4098403) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM160666 (US9045498, 8) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F |t:1| Show InChI InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259962 (CHEMBL4088234) Show SMILES C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,t:5| Show InChI InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50259973 (CHEMBL4098403) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259962 (CHEMBL4088234) Show SMILES C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,t:5| Show InChI InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM160666 (US9045498, 8) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F |t:1| Show InChI InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50259962 (CHEMBL4088234) Show SMILES C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,t:5| Show InChI InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259959 (CHEMBL4062728) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H19F4N3S/c1-15(4-5-24-14(21)23-15)10-6-9(11(17)7-12(10)18)8-22-16(2-3-16)13(19)20/h6-7,13,22H,2-5,8H2,1H3,(H2,21,23)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259955 (CHEMBL4084170) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCCC(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C15H18F5N3S/c1-14(3-5-24-13(21)23-14)10-6-9(11(16)7-12(10)17)8-22-4-2-15(18,19)20/h6-7,22H,2-5,8H2,1H3,(H2,21,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259973 (CHEMBL4098403) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	405	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259961 (CHEMBL4080380) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3OS/c1-14(2-3-26-13(22)24-14)10-4-9(11(17)5-12(10)18)6-23-15(7-25-8-15)16(19,20)21/h4-5,23H,2-3,6-8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259960 (CHEMBL4077211) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F2N4S/c1-15(4-5-23-14(20)22-15)11-6-10(12(17)7-13(11)18)8-21-16(9-19)2-3-16/h6-7,21H,2-5,8H2,1H3,(H2,20,22)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	952	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259959 (CHEMBL4062728) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H19F4N3S/c1-15(4-5-24-14(21)23-15)10-6-9(11(17)7-12(10)18)8-22-16(2-3-16)13(19)20/h6-7,13,22H,2-5,8H2,1H3,(H2,21,23)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259969 (CHEMBL4104527) Show SMILES CN(Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)CC(F)(F)F |r,c:18| Show InChI InChI=1S/C15H18F5N3S/c1-14(3-4-24-13(21)22-14)10-5-9(11(16)6-12(10)17)7-23(2)8-15(18,19)20/h5-6H,3-4,7-8H2,1-2H3,(H2,21,22)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259949 (CHEMBL4086633) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C14H16F5N3S/c1-13(2-3-23-12(20)22-13)9-4-8(10(15)5-11(9)16)6-21-7-14(17,18)19/h4-5,21H,2-3,6-7H2,1H3,(H2,20,22)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259976 (CHEMBL4091480) Show SMILES Cc1ccc(NCc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)nc1 |r,c:22| Show InChI InChI=1S/C18H20F2N4S/c1-11-3-4-16(22-9-11)23-10-12-7-13(15(20)8-14(12)19)18(2)5-6-25-17(21)24-18/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,24)(H,22,23)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259961 (CHEMBL4080380) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3OS/c1-14(2-3-26-13(22)24-14)10-4-9(11(17)5-12(10)18)6-23-15(7-25-8-15)16(19,20)21/h4-5,23H,2-3,6-8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259970 (CHEMBL4061602) Show SMILES C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:19| Show InChI InChI=1S/C15H18F5N3S/c1-8(15(18,19)20)22-7-9-5-10(12(17)6-11(9)16)14(2)3-4-24-13(21)23-14/h5-6,8,22H,3-4,7H2,1-2H3,(H2,21,23)/t8-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259974 (CHEMBL4102593) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC23CC(C2)C3)c(F)cc1F |r,c:6| Show InChI InChI=1S/C17H21F2N3S/c1-16(2-3-23-15(20)22-16)12-4-11(13(18)5-14(12)19)9-21-17-6-10(7-17)8-17/h4-5,10,21H,2-3,6-9H2,1H3,(H2,20,22)/t10?,16-,17?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50259962 (CHEMBL4088234) Show SMILES C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,t:5| Show InChI InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50259973 (CHEMBL4098403) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259968 (CHEMBL4084653) Show SMILES COC[C@@H](C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:22| Show InChI InChI=1S/C16H23F2N3OS/c1-10(9-22-3)20-8-11-6-12(14(18)7-13(11)17)16(2)4-5-23-15(19)21-16/h6-7,10,20H,4-5,8-9H2,1-3H3,(H2,19,21)/t10-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM160666 (US9045498, 8) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F |t:1| Show InChI InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259950 (CHEMBL4066885) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C14H17F4N3S/c1-14(2-3-22-13(19)21-14)9-4-8(6-20-7-12(17)18)10(15)5-11(9)16/h4-5,12,20H,2-3,6-7H2,1H3,(H2,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50259949 (CHEMBL4086633) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C14H16F5N3S/c1-13(2-3-23-12(20)22-13)9-4-8(10(15)5-11(9)16)6-21-7-14(17,18)19/h4-5,21H,2-3,6-7H2,1H3,(H2,20,22)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259970 (CHEMBL4061602) Show SMILES C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:19| Show InChI InChI=1S/C15H18F5N3S/c1-8(15(18,19)20)22-7-9-5-10(12(17)6-11(9)16)14(2)3-4-24-13(21)23-14/h5-6,8,22H,3-4,7H2,1-2H3,(H2,21,23)/t8-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259949 (CHEMBL4086633) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F |r,c:6| Show InChI InChI=1S/C14H16F5N3S/c1-13(2-3-23-12(20)22-13)9-4-8(10(15)5-11(9)16)6-21-7-14(17,18)19/h4-5,21H,2-3,6-7H2,1H3,(H2,20,22)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259966 (CHEMBL4092406) Show SMILES COCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:21| Show InChI InChI=1S/C15H21F2N3OS/c1-15(3-6-22-14(18)20-15)11-7-10(9-19-4-5-21-2)12(16)8-13(11)17/h7-8,19H,3-6,9H2,1-2H3,(H2,18,20)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair

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